8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

C272H190N16O8 — CID 159807701

IUPAC8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
SMILESCc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3nc(-c5ccccc5)oc23)C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3nc(-c5ccccc5)oc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C75H50N4O2.C69H54N4O2.C65H46N4O2.C63H40N4O2/c1-9-29-51(30-10-1)59-45-25-27-47-63(59)78(57-41-21-7-22-42-57)65-49-61-67(71-69(65)76-73(80-71)53-33-13-3-14-34-53)68-62(75(61,55-37-17-5-18-38-55)56-39-19-6-20-40-56)50-66(70-72(68)81-74(77-70)54-35-15-4-16-36-54)79(58-43-23-8-24-44-58)64-48-28-26-46-60(64)52-31-11-2-12-32-52;1-43-33-37-53(38-34-43)72(63-45(3)21-19-22-46(63)4)57-41-55-59(65-61(57)70-67(74-65)49-25-11-7-12-26-49)60-56(69(55,51-29-15-9-16-30-51)52-31-17-10-18-32-52)42-58(62-66(60)75-68(71-62)50-27-13-8-14-28-50)73(54-39-35-44(2)36-40-54)64-47(5)23-20-24-48(64)6;1-43-33-37-51(38-34-43)68(49-29-17-7-18-30-49)55-41-53-57(61-59(55)66-63(70-61)45-21-9-3-10-22-45)58-54(65(53,47-25-13-5-14-26-47)48-27-15-6-16-28-48)42-56(60-62(58)71-64(67-60)46-23-11-4-12-24-46)69(50-31-19-8-20-32-50)52-39-35-44(2)36-40-52;1-7-23-41(24-8-1)61-64-57-53(66(43-27-11-3-12-28-43)44-29-13-4-14-30-44)39-51-55(59(57)68-61)56-52(63(51)49-37-21-19-35-47(49)48-36-20-22-38-50(48)63)40-54(58-60(56)69-62(65-58)42-25-9-2-10-26-42)67(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-50H;7-42H,1-6H3;3-42H,1-2H3;1-40H
InChIKeyNKPONVLVKXHKIG-UHFFFAOYSA-N
MW3810.62 g/mol
LogP72.20
Rot. Bonds40

About 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine

8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (PubChem CID 159807701) has the molecular formula C272H190N16O8 and a molecular weight of 3810.62 g/mol. Its IUPAC name is 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.

Molecular Properties

Compound Name8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
PubChem CID159807701
Molecular FormulaC272H190N16O8
Molecular Weight3810.62 g/mol
Exact Mass3807.50
IUPAC Name8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
SMILESCc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3nc(-c5ccccc5)oc23)C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3nc(-c5ccccc5)oc23)C4(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C75H50N4O2.C69H54N4O2.C65H46N4O2.C63H40N4O2/c1-9-29-51(30-10-1)59-45-25-27-47-63(59)78(57-41-21-7-22-42-57)65-49-61-67(71-69(65)76-73(80-71)53-33-13-3-14-34-53)68-62(75(61,55-37-17-5-18-38-55)56-39-19-6-20-40-56)50-66(70-72(68)81-74(77-70)54-35-15-4-16-36-54)79(58-43-23-8-24-44-58)64-48-28-26-46-60(64)52-31-11-2-12-32-52;1-43-33-37-53(38-34-43)72(63-45(3)21-19-22-46(63)4)57-41-55-59(65-61(57)70-67(74-65)49-25-11-7-12-26-49)60-56(69(55,51-29-15-9-16-30-51)52-31-17-10-18-32-52)42-58(62-66(60)75-68(71-62)50-27-13-8-14-28-50)73(54-39-35-44(2)36-40-54)64-47(5)23-20-24-48(64)6;1-43-33-37-51(38-34-43)68(49-29-17-7-18-30-49)55-41-53-57(61-59(55)66-63(70-61)45-21-9-3-10-22-45)58-54(65(53,47-25-13-5-14-26-47)48-27-15-6-16-28-48)42-56(60-62(58)71-64(67-60)46-23-11-4-12-24-46)69(50-31-19-8-20-32-50)52-39-35-44(2)36-40-52;1-7-23-41(24-8-1)61-64-57-53(66(43-27-11-3-12-28-43)44-29-13-4-14-30-44)39-51-55(59(57)68-61)56-52(63(51)49-37-21-19-35-47(49)48-36-20-22-38-50(48)63)40-54(58-60(56)69-62(65-58)42-25-9-2-10-26-42)67(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-50H;7-42H,1-6H3;3-42H,1-2H3;1-40H
InChIKeyNKPONVLVKXHKIG-UHFFFAOYSA-N
XLogP72.20
TPSA234.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003810.62
LogP ≤ 572.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine with MolForge

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Related Compounds

5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 159057181
5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
CID 153283719
5,17-bis(2-methylphenyl)-8-N,8-N,14-N,14-N,11,11-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(2-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;4-(N-[14-(N-(4-isocyanophenyl)anilino)-5,17-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8-yl]anilino)benzonitrile
CID 160602144
8-N,14-N-bis(4-tert-butylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;5,17-bis(2-methylphenyl)-8-N,14-N-dinaphthalen-2-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(3-methylphenyl)-8-N,14-N,5,17-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine;8-N,14-N,5,17-tetraphenyl-8-N,14-N-bis(4-trimethylsilylphenyl)spiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 161408724
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
5,17-dimethyl-8-N,14-N-dinaphthalen-2-yl-8-N,14-N-diphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 149376816
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118193667
N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158652942
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 123459868
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346

Frequently Asked Questions

What is the IUPAC name of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The IUPAC name of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine (CID 159807701) is 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine.
What is the SMILES notation for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The canonical SMILES for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is Cc1ccc(N(c2c(C)cccc2C)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccc(C)cc4)c4c(C)cccc4C)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.Cc1ccc(N(c2ccccc2)c2cc3c(c4oc(-c5ccccc5)nc24)-c2c(cc(N(c4ccccc4)c4ccc(C)cc4)c4nc(-c5ccccc5)oc24)C3(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3)c3nc(-c5ccccc5)oc23)C42c3ccccc3-c3ccccc32)cc1.c1ccc(-c2nc3c(N(c4ccccc4)c4ccccc4-c4ccccc4)cc4c(c3o2)-c2c(cc(N(c3ccccc3)c3ccccc3-c3ccccc3)c3nc(-c5ccccc5)oc23)C4(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
The InChIKey is NKPONVLVKXHKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N4O2.C69H54N4O2.C65H46N4O2.C63H40N4O2/c1-9-29-51(30-10-1)59-45-25-27-47-63(59)78(57-41-21-7-22-42-57)65-49-61-67(71-69(65)76-73(80-71)53-33-13-3-14-34-53)68-62(75(61,55-37-17-5-18-38-55)56-39-19-6-20-40-56)50-66(70-72(68)81-74(77-70)54-35-15-4-16-36-54)79(58-43-23-8-24-44-58)64-48-28-26-46-60(64)52-31-11-2-12-32-52;1-43-33-37-53(38-34-43)72(63-45(3)21-19-22-46(63)4)57-41-55-59(65-61(57)70-67(74-65)49-25-11-7-12-26-49)60-56(69(55,51-29-15-9-16-30-51)52-31-17-10-18-32-52)42-58(62-66(60)75-68(71-62)50-27-13-8-14-28-50)73(54-39-35-44(2)36-40-54)64-47(5)23-20-24-48(64)6;1-43-33-37-51(38-34-43)68(49-29-17-7-18-30-49)55-41-53-57(61-59(55)66-63(70-61)45-21-9-3-10-22-45)58-54(65(53,47-25-13-5-14-26-47)48-27-15-6-16-28-48)42-56(60-62(58)71-64(67-60)46-23-11-4-12-24-46)69(50-31-19-8-20-32-50)52-39-35-44(2)36-40-52;1-7-23-41(24-8-1)61-64-57-53(66(43-27-11-3-12-28-43)44-29-13-4-14-30-44)39-51-55(59(57)68-61)56-52(63(51)49-37-21-19-35-47(49)48-36-20-22-38-50(48)63)40-54(58-60(56)69-62(65-58)42-25-9-2-10-26-42)67(45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-50H;7-42H,1-6H3;3-42H,1-2H3;1-40H.
What are the key properties of 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine?
8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine has a molecular weight of 3810.62 g/mol, XLogP of 72.20, 40 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine is sourced from PubChem (CID 159807701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).