22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

C187H115N9 — CID 158670069

About 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene

22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 158670069) has the molecular formula C187H115N9 and a molecular weight of 2488.04 g/mol. Its IUPAC name is 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• PubChem CID: 158670069
• Molecular Formula: C187H115N9
• Molecular Weight: 2488.04 g/mol
• Exact Mass: 2485.93
• IUPAC Name: 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7c7c8ccccc8c8ccccc8c67)cc5)ccc43)cccc2c1
• InChI: InChI=1S/C69H43N3.C61H37N3.C57H35N3/c1-4-16-44(17-5-1)47-30-36-63-58(40-47)60-42-49(32-38-64(60)71(63)51-20-8-3-9-21-51)50-33-39-66-61(43-50)59-41-48(45-18-6-2-7-19-45)31-37-65(59)72(66)52-34-28-46(29-35-52)69-68-56-25-13-11-23-54(56)53-22-10-12-24-55(53)67(68)57-26-14-15-27-62(57)70-69;1-2-16-43-38(14-1)15-13-27-54(43)64-56-26-12-9-20-47(56)52-37-41(31-35-58(52)64)40-30-34-57-51(36-40)46-19-8-11-25-55(46)63(57)42-32-28-39(29-33-42)61-60-49-22-6-4-18-45(49)44-17-3-5-21-48(44)59(60)50-23-7-10-24-53(50)62-61;1-2-14-39(15-3-1)59-51-24-12-9-18-43(51)48-34-37(28-32-53(48)59)38-29-33-54-49(35-38)44-19-10-13-25-52(44)60(54)40-30-26-36(27-31-40)57-56-46-21-7-5-17-42(46)41-16-4-6-20-45(41)55(56)47-22-8-11-23-50(47)58-57/h1-43H;1-37H;1-35H
• InChIKey: IDVMCPZIMRPIEO-UHFFFAOYSA-N
• XLogP: 50.15
• TPSA: 68.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2488.04
LogP ≤ 5	50.15
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 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The IUPAC name of 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (CID 158670069) is 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.

What is the SMILES notation for 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The canonical SMILES for 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc6ccccc6c6c7ccccc7c7ccccc7c56)cc4)ccc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7c7c8ccccc8c8ccccc8c67)cc5)ccc43)cccc2c1.

What is the InChIKey of 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

The InChIKey is IDVMCPZIMRPIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N3.C61H37N3.C57H35N3/c1-4-16-44(17-5-1)47-30-36-63-58(40-47)60-42-49(32-38-64(60)71(63)51-20-8-3-9-21-51)50-33-39-66-61(43-50)59-41-48(45-18-6-2-7-19-45)31-37-65(59)72(66)52-34-28-46(29-35-52)69-68-56-25-13-11-23-54(56)53-22-10-12-24-55(53)67(68)57-26-14-15-27-62(57)70-69;1-2-16-43-38(14-1)15-13-27-54(43)64-56-26-12-9-20-47(56)52-37-41(31-35-58(52)64)40-30-34-57-51(36-40)46-19-8-11-25-55(46)63(57)42-32-28-39(29-33-42)61-60-49-22-6-4-18-45(49)44-17-3-5-21-48(44)59(60)50-23-7-10-24-53(50)62-61;1-2-14-39(15-3-1)59-51-24-12-9-18-43(51)48-34-37(28-32-53(48)59)38-29-33-54-49(35-38)44-19-10-13-25-52(44)60(54)40-30-26-36(27-31-40)57-56-46-21-7-5-17-42(46)41-16-4-6-20-45(41)55(56)47-22-8-11-23-50(47)58-57/h1-43H;1-37H;1-35H.

What are the key properties of 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene?

22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene has a molecular weight of 2488.04 g/mol, XLogP of 50.15, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene is sourced from PubChem (CID 158670069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).