N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

C192H124N8S — CID 158989923

About N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine

N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (PubChem CID 158989923) has the molecular formula C192H124N8S and a molecular weight of 2575.23 g/mol. Its IUPAC name is N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.

Molecular Properties

• Compound Name: N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
• PubChem CID: 158989923
• Molecular Formula: C192H124N8S
• Molecular Weight: 2575.23 g/mol
• Exact Mass: 2572.97
• IUPAC Name: N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc(-c4cccc5c4N(c4ccccc4)c4cccc6cccc-5c46)c3)cc2)c2ccc3c(c2)sc2c4ccccc4c4ccccc4c32)cc1.c1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7c8ccccc8ccc7n(-c7ccccc7)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1.c1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1
• InChI: InChI=1S/2C66H43N3.C60H38N2S/c1-3-18-52(19-4-1)68-61-24-12-17-48-16-11-23-59(65(48)61)58-39-37-56(43-64(58)68)67(54-33-27-45(28-34-54)50-26-25-44-13-7-8-15-49(44)41-50)55-35-29-46(30-36-55)51-31-38-60-63(42-51)69(53-20-5-2-6-21-53)62-40-32-47-14-9-10-22-57(47)66(60)62;1-2-19-52(20-3-1)68-63-26-12-18-48-17-10-23-60(66(48)63)59-40-38-55(43-65(59)68)67(53-34-29-45(30-35-53)50-28-27-44-13-4-5-15-49(44)41-50)54-36-31-46(32-37-54)51-33-39-58-57-22-8-9-24-62(57)69(64(58)42-51)61-25-11-16-47-14-6-7-21-56(47)61;1-3-19-43(20-4-1)61(46-35-36-54-56(38-46)63-60-53-26-10-8-24-49(53)48-23-7-9-25-50(48)58(54)60)45-33-31-39(32-34-45)41-17-11-18-42(37-41)47-27-14-29-52-51-28-12-15-40-16-13-30-55(57(40)51)62(59(47)52)44-21-5-2-6-22-44/h2*1-43H;1-38H
• InChIKey: JQAMCRSOTCKCQS-UHFFFAOYSA-N
• XLogP: 54.76
• TPSA: 29.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2575.23
LogP ≤ 5	54.76
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-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The IUPAC name of N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine (CID 158989923) is N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine.

What is the SMILES notation for N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The canonical SMILES for N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is c1ccc(N(c2ccc(-c3cccc(-c4cccc5c4N(c4ccccc4)c4cccc6cccc-5c46)c3)cc2)c2ccc3c(c2)sc2c4ccccc4c4ccccc4c32)cc1.c1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7c8ccccc8ccc7n(-c7ccccc7)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1.c1ccc(N2c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7ccccc7n(-c7cccc8ccccc78)c6c5)cc4)ccc3-c3cccc4cccc2c34)cc1.

What is the InChIKey of N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

The InChIKey is JQAMCRSOTCKCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H43N3.C60H38N2S/c1-3-18-52(19-4-1)68-61-24-12-17-48-16-11-23-59(65(48)61)58-39-37-56(43-64(58)68)67(54-33-27-45(28-34-54)50-26-25-44-13-7-8-15-49(44)41-50)55-35-29-46(30-36-55)51-31-38-60-63(42-51)69(53-20-5-2-6-21-53)62-40-32-47-14-9-10-22-57(47)66(60)62;1-2-19-52(20-3-1)68-63-26-12-18-48-17-10-23-60(66(48)63)59-40-38-55(43-65(59)68)67(53-34-29-45(30-35-53)50-28-27-44-13-4-5-15-49(44)41-50)54-36-31-46(32-37-54)51-33-39-58-57-22-8-9-24-62(57)69(64(58)42-51)61-25-11-16-47-14-6-7-21-56(47)61;1-3-19-43(20-4-1)61(46-35-36-54-56(38-46)63-60-53-26-10-8-24-49(53)48-23-7-9-25-50(48)58(54)60)45-33-31-39(32-34-45)41-17-11-18-42(37-41)47-27-14-29-52-51-28-12-15-40-16-13-30-55(57(40)51)62(59(47)52)44-21-5-2-6-22-44/h2*1-43H;1-38H.

What are the key properties of N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine?

N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine has a molecular weight of 2575.23 g/mol, XLogP of 54.76, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-(4-naphthalen-2-ylphenyl)-8-phenyl-N-[4-(7-phenylbenzo[g]carbazol-9-yl)phenyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine;N-phenyl-N-[4-[3-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl)phenyl]phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine is sourced from PubChem (CID 158989923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).