9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C278H192N12 — CID 158812086

IUPAC9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc3n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5ccccc45)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C80H59N3.2C70H47N3.C58H39N3/c1-79(2)69-34-20-18-28-61(69)63-46-44-59(48-71(63)79)81(57-40-36-54(37-41-57)52-22-8-5-9-23-52)73-50-75-77(67-32-16-14-30-65(67)73)78-68-33-17-15-31-66(68)74(51-76(78)83(75)56-26-12-7-13-27-56)82(58-42-38-55(39-43-58)53-24-10-6-11-25-53)60-45-47-64-62-29-19-21-35-70(62)80(3,4)72(64)49-60;1-4-24-52(25-5-1)71(55-42-38-50(39-43-55)59-36-18-22-48-20-10-12-30-57(48)59)65-46-67-69(63-34-16-14-32-61(63)65)70-64-35-17-15-33-62(64)66(47-68(70)73(67)54-28-8-3-9-29-54)72(53-26-6-2-7-27-53)56-44-40-51(41-45-56)60-37-19-23-49-21-11-13-31-58(49)60;1-4-20-48(21-5-1)50-38-42-55(43-39-50)71(63-36-18-26-52-24-10-12-30-57(52)63)65-46-67-69(61-34-16-14-32-59(61)65)70-62-35-17-15-33-60(62)66(47-68(70)73(67)54-28-8-3-9-29-54)72(64-37-19-27-53-25-11-13-31-58(53)64)56-44-40-51(41-45-56)49-22-6-2-7-23-49;1-4-24-42(25-5-1)59(51-36-18-22-40-20-10-12-30-45(40)51)53-38-55-57(49-34-16-14-32-47(49)53)58-50-35-17-15-33-48(50)54(39-56(58)61(55)44-28-8-3-9-29-44)60(43-26-6-2-7-27-43)52-37-19-23-41-21-11-13-31-46(41)52/h5-51H,1-4H3;2*1-47H;1-39H
InChIKeyIUUWYEQZAVEIQI-UHFFFAOYSA-N
MW3700.68 g/mol
LogP77.65
Rot. Bonds34

About 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 158812086) has the molecular formula C278H192N12 and a molecular weight of 3700.68 g/mol. Its IUPAC name is 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID158812086
Molecular FormulaC278H192N12
Molecular Weight3700.68 g/mol
Exact Mass3697.54
IUPAC Name9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc3n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5ccccc45)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C80H59N3.2C70H47N3.C58H39N3/c1-79(2)69-34-20-18-28-61(69)63-46-44-59(48-71(63)79)81(57-40-36-54(37-41-57)52-22-8-5-9-23-52)73-50-75-77(67-32-16-14-30-65(67)73)78-68-33-17-15-31-66(68)74(51-76(78)83(75)56-26-12-7-13-27-56)82(58-42-38-55(39-43-58)53-24-10-6-11-25-53)60-45-47-64-62-29-19-21-35-70(62)80(3,4)72(64)49-60;1-4-24-52(25-5-1)71(55-42-38-50(39-43-55)59-36-18-22-48-20-10-12-30-57(48)59)65-46-67-69(63-34-16-14-32-61(63)65)70-64-35-17-15-33-62(64)66(47-68(70)73(67)54-28-8-3-9-29-54)72(53-26-6-2-7-27-53)56-44-40-51(41-45-56)60-37-19-23-49-21-11-13-31-58(49)60;1-4-20-48(21-5-1)50-38-42-55(43-39-50)71(63-36-18-26-52-24-10-12-30-57(52)63)65-46-67-69(61-34-16-14-32-59(61)65)70-62-35-17-15-33-60(62)66(47-68(70)73(67)54-28-8-3-9-29-54)72(64-37-19-27-53-25-11-13-31-58(53)64)56-44-40-51(41-45-56)49-22-6-2-7-23-49;1-4-24-42(25-5-1)59(51-36-18-22-40-20-10-12-30-45(40)51)53-38-55-57(49-34-16-14-32-47(49)53)58-50-35-17-15-33-48(50)54(39-56(58)61(55)44-28-8-3-9-29-44)60(43-26-6-2-7-27-43)52-37-19-23-41-21-11-13-31-46(41)52/h5-51H,1-4H3;2*1-47H;1-39H
InChIKeyIUUWYEQZAVEIQI-UHFFFAOYSA-N
XLogP77.65
TPSA45.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003700.68
LogP ≤ 577.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-12-phenyl-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385903
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385898
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
16,16-dimethyl-N-(3-phenylphenyl)-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 155791302
N,N-bis(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-ylbenzo[c]carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165076345
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393592

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 158812086) is 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc3n4-c3ccccc3)cc21.c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cc4c(c5ccccc35)c3c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5cccc6ccccc56)cc3n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)cc2n3-c2ccccc2)cc1.c1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4cccc5ccccc45)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is IUUWYEQZAVEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H59N3.2C70H47N3.C58H39N3/c1-79(2)69-34-20-18-28-61(69)63-46-44-59(48-71(63)79)81(57-40-36-54(37-41-57)52-22-8-5-9-23-52)73-50-75-77(67-32-16-14-30-65(67)73)78-68-33-17-15-31-66(68)74(51-76(78)83(75)56-26-12-7-13-27-56)82(58-42-38-55(39-43-58)53-24-10-6-11-25-53)60-45-47-64-62-29-19-21-35-70(62)80(3,4)72(64)49-60;1-4-24-52(25-5-1)71(55-42-38-50(39-43-55)59-36-18-22-48-20-10-12-30-57(48)59)65-46-67-69(63-34-16-14-32-61(63)65)70-64-35-17-15-33-62(64)66(47-68(70)73(67)54-28-8-3-9-29-54)72(53-26-6-2-7-27-53)56-44-40-51(41-45-56)60-37-19-23-49-21-11-13-31-58(49)60;1-4-20-48(21-5-1)50-38-42-55(43-39-50)71(63-36-18-26-52-24-10-12-30-57(52)63)65-46-67-69(61-34-16-14-32-59(61)65)70-62-35-17-15-33-60(62)66(47-68(70)73(67)54-28-8-3-9-29-54)72(64-37-19-27-53-25-11-13-31-58(53)64)56-44-40-51(41-45-56)49-22-6-2-7-23-49;1-4-24-42(25-5-1)59(51-36-18-22-40-20-10-12-30-45(40)51)53-38-55-57(49-34-16-14-32-47(49)53)58-50-35-17-15-33-48(50)54(39-56(58)61(55)44-28-8-3-9-29-44)60(43-26-6-2-7-27-43)52-37-19-23-41-21-11-13-31-46(41)52/h5-51H,1-4H3;2*1-47H;1-39H.
What are the key properties of 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 3700.68 g/mol, XLogP of 77.65, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 158812086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).