N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine

C202H130N8O — CID 159662453

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine (PubChem CID 159662453) has the molecular formula C202H130N8O and a molecular weight of 2685.32 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine
• PubChem CID: 159662453
• Molecular Formula: C202H130N8O
• Molecular Weight: 2685.32 g/mol
• Exact Mass: 2683.04
• IUPAC Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)cc3)cc21.c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)cc3)ccc12
• InChI: InChI=1S/C69H47N3.C67H42N2.C66H41N3O/c1-69(2)62-18-7-3-12-54(62)55-40-30-49(43-63(55)69)47-28-36-52(37-29-47)70(50-32-22-44(23-33-50)45-24-38-53(39-25-45)71-64-19-8-4-13-56(64)57-14-5-9-20-65(57)71)51-34-26-46(27-35-51)48-31-41-67-61(42-48)60-17-11-16-59-58-15-6-10-21-66(58)72(67)68(59)60;1-2-14-52-50(12-1)51-13-3-4-17-55(51)62-41-49(37-38-56(52)62)68(47-33-28-43(29-34-47)42-24-26-45(27-25-42)66-58-19-7-5-15-53(58)54-16-6-8-20-59(54)66)48-35-30-44(31-36-48)46-32-39-65-63(40-46)61-22-11-21-60-57-18-9-10-23-64(57)69(65)67(60)61;1-5-16-60-52(10-1)53-11-2-6-17-61(53)68(60)51-36-22-43(23-37-51)42-20-30-48(31-21-42)67(50-34-26-45(27-35-50)47-28-38-56-55-13-4-8-19-64(55)70-65(56)41-47)49-32-24-44(25-33-49)46-29-39-63-59(40-46)58-15-9-14-57-54-12-3-7-18-62(54)69(63)66(57)58/h3-43H,1-2H3;1-41,66H;1-41H
• InChIKey: MSZINBZYUDBWER-UHFFFAOYSA-N
• XLogP: 55.28
• TPSA: 45.95 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2685.32
LogP ≤ 5	55.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine (CID 159662453) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine.

What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)cc3)cc21.c1ccc2c(c1)-c1ccccc1C2c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)cc3)ccc12.

What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

The InChIKey is MSZINBZYUDBWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3.C67H42N2.C66H41N3O/c1-69(2)62-18-7-3-12-54(62)55-40-30-49(43-63(55)69)47-28-36-52(37-29-47)70(50-32-22-44(23-33-50)45-24-38-53(39-25-45)71-64-19-8-4-13-56(64)57-14-5-9-20-65(57)71)51-34-26-46(27-35-51)48-31-41-67-61(42-48)60-17-11-16-59-58-15-6-10-21-66(58)72(67)68(59)60;1-2-14-52-50(12-1)51-13-3-4-17-55(51)62-41-49(37-38-56(52)62)68(47-33-28-43(29-34-47)42-24-26-45(27-25-42)66-58-19-7-5-15-53(58)54-16-6-8-20-59(54)66)48-35-30-44(31-36-48)46-32-39-65-63(40-46)61-22-11-21-60-57-18-9-10-23-64(57)69(65)67(60)61;1-5-16-60-52(10-1)53-11-2-6-17-61(53)68(60)51-36-22-43(23-37-51)42-20-30-48(31-21-42)67(50-34-26-45(27-35-50)47-28-38-56-55-13-4-8-19-64(55)70-65(56)41-47)49-32-24-44(25-33-49)46-29-39-63-59(40-46)58-15-9-14-57-54-12-3-7-18-62(54)69(63)66(57)58/h3-43H,1-2H3;1-41,66H;1-41H.

What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine?

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine has a molecular weight of 2685.32 g/mol, XLogP of 55.28, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[4-[4-(9H-fluoren-9-yl)phenyl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 159662453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).