22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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

C233H144N14 — CID 158695558

About 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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 158695558) has the molecular formula C233H144N14 and a molecular weight of 3139.81 g/mol. Its IUPAC name is 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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: 158695558
• Molecular Formula: C233H144N14
• Molecular Weight: 3139.81 g/mol
• Exact Mass: 3137.17
• IUPAC Name: 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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(-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5c34)cc2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-c3cnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-c3ncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1c3ccccc3c3ccccc3c21
• InChI: InChI=1S/C51H32N2.2C49H30N4.C45H28N2.C39H24N2/c1-3-13-33(14-4-1)36-25-29-47-44(31-36)45-32-37(34-15-5-2-6-16-34)26-30-48(45)53(47)38-27-23-35(24-28-38)51-50-42-20-10-8-18-40(42)39-17-7-9-19-41(39)49(50)43-21-11-12-22-46(43)52-51;1-3-15-40-36(11-1)37-12-2-4-16-41(37)47-46(40)42-17-5-8-18-43(42)52-48(47)32-21-23-33(24-22-32)49-50-29-34(30-51-49)31-25-27-35(28-26-31)53-44-19-9-6-13-38(44)39-14-7-10-20-45(39)53;1-3-15-40-36(11-1)37-12-2-4-16-41(37)47-46(40)42-17-5-8-18-43(42)52-48(47)32-23-21-31(22-24-32)34-29-50-49(51-30-34)33-25-27-35(28-26-33)53-44-19-9-6-13-38(44)39-14-7-10-20-45(39)53;1-3-15-37-33(11-1)34-12-2-4-16-38(34)44-43(37)39-17-5-8-18-40(39)46-45(44)31-23-21-29(22-24-31)30-25-27-32(28-26-30)47-41-19-9-6-13-35(41)36-14-7-10-20-42(36)47;1-3-15-31-27(11-1)28-12-2-4-16-32(28)38-37(31)33-17-5-8-18-34(33)40-39(38)25-21-23-26(24-22-25)41-35-19-9-6-13-29(35)30-14-7-10-20-36(30)41/h1-32H;2*1-30H;1-28H;1-24H
• InChIKey: IGWYJFWRQRNFEO-UHFFFAOYSA-N
• XLogP: 61.54
• TPSA: 140.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3139.81
LogP ≤ 5	61.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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 158695558) is 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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(-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4c4c5ccccc5c5ccccc5c34)cc2)cc1.c1ccc2c(c1)nc(-c1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-c3cnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-c3ncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)cc1)c1c3ccccc3c3ccccc3c21.c1ccc2c(c1)nc(-c1ccc(-n3c4ccccc4c4ccccc43)cc1)c1c3ccccc3c3ccccc3c21.

What is the InChIKey of 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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 IGWYJFWRQRNFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2.2C49H30N4.C45H28N2.C39H24N2/c1-3-13-33(14-4-1)36-25-29-47-44(31-36)45-32-37(34-15-5-2-6-16-34)26-30-48(45)53(47)38-27-23-35(24-28-38)51-50-42-20-10-8-18-40(42)39-17-7-9-19-41(39)49(50)43-21-11-12-22-46(43)52-51;1-3-15-40-36(11-1)37-12-2-4-16-41(37)47-46(40)42-17-5-8-18-43(42)52-48(47)32-21-23-33(24-22-32)49-50-29-34(30-51-49)31-25-27-35(28-26-31)53-44-19-9-6-13-38(44)39-14-7-10-20-45(39)53;1-3-15-40-36(11-1)37-12-2-4-16-41(37)47-46(40)42-17-5-8-18-43(42)52-48(47)32-23-21-31(22-24-32)34-29-50-49(51-30-34)33-25-27-35(28-26-33)53-44-19-9-6-13-38(44)39-14-7-10-20-45(39)53;1-3-15-37-33(11-1)34-12-2-4-16-38(34)44-43(37)39-17-5-8-18-40(39)46-45(44)31-23-21-29(22-24-31)30-25-27-32(28-26-30)47-41-19-9-6-13-35(41)36-14-7-10-20-42(36)47;1-3-15-31-27(11-1)28-12-2-4-16-32(28)38-37(31)33-17-5-8-18-34(33)40-39(38)25-21-23-26(24-22-25)41-35-19-9-6-13-29(35)30-14-7-10-20-36(30)41/h1-32H;2*1-30H;1-28H;1-24H.

What are the key properties of 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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 3139.81 g/mol, XLogP of 61.54, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 22-(4-carbazol-9-ylphenyl)-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-(4-carbazol-9-ylphenyl)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-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-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-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-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-diphenylcarbazol-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 158695558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).