12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C314H228N6 — CID 158153886

IUPAC12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C(C)(C)C)C3(C(C)(C)C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C)C3(C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccccc5c3)c3ccccc43)cc21
InChIInChI=1S/C108H84N2.C104H72N2.C102H72N2/c1-103(2,3)107(91-57-49-67-29-13-17-33-77(67)99(91)101-85-39-21-19-37-83(85)97(63-95(101)107)109(71-51-47-69-45-43-65-27-11-15-31-75(65)87(69)59-71)73-53-55-81-79-35-23-25-41-89(79)105(7,8)93(81)61-73)108(104(4,5)6)92-58-50-68-30-14-18-34-78(68)100(92)102-86-40-22-20-38-84(86)98(64-96(102)108)110(72-52-48-70-46-44-66-28-12-16-32-76(66)88(70)60-72)74-54-56-82-80-36-24-26-42-90(80)106(9,10)94(82)62-74;1-101(2)87-45-25-23-39-79(87)81-55-53-75(61-91(81)101)105(73-51-47-65-27-11-13-31-69(65)59-73)95-63-93-99(85-43-21-19-41-83(85)95)97-77-37-17-15-29-67(77)49-57-89(97)103(93,71-33-7-5-8-34-71)104(72-35-9-6-10-36-72)90-58-50-68-30-16-18-38-78(68)98(90)100-86-44-22-20-42-84(86)96(64-94(100)104)106(74-52-48-66-28-12-14-32-70(66)60-74)76-54-56-82-80-40-24-26-46-88(80)102(3,4)92(82)62-76;1-99(2)85-37-21-19-31-75(85)77-51-49-69(57-89(77)99)103(67-47-43-65-41-39-61-23-7-11-27-71(61)83(65)55-67)93-59-91-97(81-35-17-15-33-79(81)93)95-73-29-13-9-25-63(73)45-53-87(95)101(91,5)102(6)88-54-46-64-26-10-14-30-74(64)96(88)98-82-36-18-16-34-80(82)94(60-92(98)102)104(68-48-44-66-42-40-62-24-8-12-28-72(62)84(66)56-68)70-50-52-78-76-32-20-22-38-86(76)100(3,4)90(78)58-70/h11-64H,1-10H3;5-64H,1-4H3;7-60H,1-6H3
InChIKeyFVLJKNYJISWHKS-UHFFFAOYSA-N
MW4085.32 g/mol
LogP85.01
Rot. Bonds23

About 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 158153886) has the molecular formula C314H228N6 and a molecular weight of 4085.32 g/mol. Its IUPAC name is 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound Name12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID158153886
Molecular FormulaC314H228N6
Molecular Weight4085.32 g/mol
Exact Mass4081.80
IUPAC Name12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C(C)(C)C)C3(C(C)(C)C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C)C3(C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccccc5c3)c3ccccc43)cc21
InChIInChI=1S/C108H84N2.C104H72N2.C102H72N2/c1-103(2,3)107(91-57-49-67-29-13-17-33-77(67)99(91)101-85-39-21-19-37-83(85)97(63-95(101)107)109(71-51-47-69-45-43-65-27-11-15-31-75(65)87(69)59-71)73-53-55-81-79-35-23-25-41-89(79)105(7,8)93(81)61-73)108(104(4,5)6)92-58-50-68-30-14-18-34-78(68)100(92)102-86-40-22-20-38-84(86)98(64-96(102)108)110(72-52-48-70-46-44-66-28-12-16-32-76(66)88(70)60-72)74-54-56-82-80-36-24-26-42-90(80)106(9,10)94(82)62-74;1-101(2)87-45-25-23-39-79(87)81-55-53-75(61-91(81)101)105(73-51-47-65-27-11-13-31-69(65)59-73)95-63-93-99(85-43-21-19-41-83(85)95)97-77-37-17-15-29-67(77)49-57-89(97)103(93,71-33-7-5-8-34-71)104(72-35-9-6-10-36-72)90-58-50-68-30-16-18-38-78(68)98(90)100-86-44-22-20-42-84(86)96(64-94(100)104)106(74-52-48-66-28-12-14-32-70(66)60-74)76-54-56-82-80-40-24-26-46-88(80)102(3,4)92(82)62-76;1-99(2)85-37-21-19-31-75(85)77-51-49-69(57-89(77)99)103(67-47-43-65-41-39-61-23-7-11-27-71(61)83(65)55-67)93-59-91-97(81-35-17-15-33-79(81)93)95-73-29-13-9-25-63(73)45-53-87(95)101(91,5)102(6)88-54-46-64-26-10-14-30-74(64)96(88)98-82-36-18-16-34-80(82)94(60-92(98)102)104(68-48-44-66-42-40-62-24-8-12-28-72(62)84(66)56-68)70-50-52-78-76-32-20-22-38-86(76)100(3,4)90(78)58-70/h11-64H,1-10H3;5-64H,1-4H3;7-60H,1-6H3
InChIKeyFVLJKNYJISWHKS-UHFFFAOYSA-N
XLogP85.01
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms320
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004085.32
LogP ≤ 585.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

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Launch Full Analysis

Related Compounds

12-tert-butyl-12-[12-tert-butyl-9-[di(phenanthren-2-yl)amino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-di(phenanthren-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;12-[9-[di(phenanthren-2-yl)amino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-di(phenanthren-2-yl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 159559361
12-methyl-12-[12-methyl-9-(N-naphthalen-2-ylanilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-N-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 140862720
7-[5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)-7-methylbenzo[c]fluorene-5,9-diamine;7-[5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)-7-phenylbenzo[c]fluorene-5,9-diamine;7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
CID 157168031
7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine
CID 158882508
7-[5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)-7-methylbenzo[c]fluorene-5,9-diamine;7-[5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)-7-phenylbenzo[c]fluorene-5,9-diamine;7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)benzo[c]fluorene-5,9-diamine
CID 159890340
9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
CID 157362936
4-(N-[12-tert-butyl-12-[12-tert-butyl-9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;4-(N-[12-[9-(4-cyano-N-(4-isocyanophenyl)anilino)-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-4-isocyanoanilino)benzonitrile;12-[9-(4-fluoro-N-(4-fluorophenyl)anilino)-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-fluorophenyl)-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 158645629
N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
CID 134432721
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
CID 167184455
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-5-N,16-N-di(phenanthren-3-yl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633447

Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 158153886) is 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C(C)(C)C)C3(C(C)(C)C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(C)C3(C)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccc6ccccc6c5c3)c3ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3cc4c(c5ccccc35)-c3c(ccc5ccccc35)C4(c3ccccc3)C3(c4ccccc4)c4ccc5ccccc5c4-c4c3cc(N(c3ccc5c(c3)C(C)(C)c3ccccc3-5)c3ccc5ccccc5c3)c3ccccc43)cc21.
What is the InChIKey of 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is FVLJKNYJISWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H84N2.C104H72N2.C102H72N2/c1-103(2,3)107(91-57-49-67-29-13-17-33-77(67)99(91)101-85-39-21-19-37-83(85)97(63-95(101)107)109(71-51-47-69-45-43-65-27-11-15-31-75(65)87(69)59-71)73-53-55-81-79-35-23-25-41-89(79)105(7,8)93(81)61-73)108(104(4,5)6)92-58-50-68-30-14-18-34-78(68)100(92)102-86-40-22-20-38-84(86)98(64-96(102)108)110(72-52-48-70-46-44-66-28-12-16-32-76(66)88(70)60-72)74-54-56-82-80-36-24-26-42-90(80)106(9,10)94(82)62-74;1-101(2)87-45-25-23-39-79(87)81-55-53-75(61-91(81)101)105(73-51-47-65-27-11-13-31-69(65)59-73)95-63-93-99(85-43-21-19-41-83(85)95)97-77-37-17-15-29-67(77)49-57-89(97)103(93,71-33-7-5-8-34-71)104(72-35-9-6-10-36-72)90-58-50-68-30-16-18-38-78(68)98(90)100-86-44-22-20-42-84(86)96(64-94(100)104)106(74-52-48-66-28-12-14-32-70(66)60-74)76-54-56-82-80-40-24-26-46-88(80)102(3,4)92(82)62-76;1-99(2)85-37-21-19-31-75(85)77-51-49-69(57-89(77)99)103(67-47-43-65-41-39-61-23-7-11-27-71(61)83(65)55-67)93-59-91-97(81-35-17-15-33-79(81)93)95-73-29-13-9-25-63(73)45-53-87(95)101(91,5)102(6)88-54-46-64-26-10-14-30-74(64)96(88)98-82-36-18-16-34-80(82)94(60-92(98)102)104(68-48-44-66-42-40-62-24-8-12-28-72(62)84(66)56-68)70-50-52-78-76-32-20-22-38-86(76)100(3,4)90(78)58-70/h11-64H,1-10H3;5-64H,1-4H3;7-60H,1-6H3.
What are the key properties of 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 4085.32 g/mol, XLogP of 85.01, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butyl-12-[12-tert-butyl-9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]-12-phenyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N-naphthalen-2-yl-12-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-[9-[(9,9-dimethylfluoren-2-yl)-phenanthren-3-ylamino]-12-methyl-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-12-methyl-N-phenanthren-3-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 158153886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).