12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole

C148H94Br5N5 — CID 165100462

About 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole

12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole (PubChem CID 165100462) has the molecular formula C148H94Br5N5 and a molecular weight of 2341.93 g/mol. Its IUPAC name is 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole
• PubChem CID: 165100462
• Molecular Formula: C148H94Br5N5
• Molecular Weight: 2341.93 g/mol
• Exact Mass: 2335.34
• IUPAC Name: 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole
• SMILES: Brc1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5ccccc5c43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)cc1
• InChI: InChI=1S/2C32H20BrN.3C28H18BrN/c33-23-17-13-21(14-18-23)22-15-19-24(20-16-22)34-30-12-6-5-11-29(30)31-27-9-3-1-7-25(27)26-8-2-4-10-28(26)32(31)34;33-25-15-9-21(10-16-25)22-11-17-26(18-12-22)34-29-19-13-23-5-1-3-7-27(23)31(29)32-28-8-4-2-6-24(28)14-20-30(32)34;29-22-14-9-19(10-15-22)20-11-16-23(17-12-20)30-27-8-4-3-7-25(27)26-18-13-21-5-1-2-6-24(21)28(26)30;29-22-14-9-19(10-15-22)20-11-16-23(17-12-20)30-26-8-4-3-7-25(26)28-24-6-2-1-5-21(24)13-18-27(28)30;29-23-13-9-19(10-14-23)20-11-15-24(16-12-20)30-27-8-4-3-7-25(27)26-17-21-5-1-2-6-22(21)18-28(26)30/h2*1-20H;3*1-18H
• InChIKey: YFUBWGUZEBKLKS-UHFFFAOYSA-N
• XLogP: 44.14
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2341.93
LogP ≤ 5	44.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole?

The IUPAC name of 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole (CID 165100462) is 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole.

What is the SMILES notation for 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole?

The canonical SMILES for 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole is Brc1ccc(-c2ccc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5c5ccccc5c43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc2)cc1.

What is the InChIKey of 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole?

The InChIKey is YFUBWGUZEBKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H20BrN.3C28H18BrN/c33-23-17-13-21(14-18-23)22-15-19-24(20-16-22)34-30-12-6-5-11-29(30)31-27-9-3-1-7-25(27)26-8-2-4-10-28(26)32(31)34;33-25-15-9-21(10-16-25)22-11-17-26(18-12-22)34-29-19-13-23-5-1-3-7-27(23)31(29)32-28-8-4-2-6-24(28)14-20-30(32)34;29-22-14-9-19(10-15-22)20-11-16-23(17-12-20)30-27-8-4-3-7-25(27)26-18-13-21-5-1-2-6-24(21)28(26)30;29-22-14-9-19(10-15-22)20-11-16-23(17-12-20)30-26-8-4-3-7-25(26)28-24-6-2-1-5-21(24)13-18-27(28)30;29-23-13-9-19(10-14-23)20-11-15-24(16-12-20)30-27-8-4-3-7-25(27)26-17-21-5-1-2-6-22(21)18-28(26)30/h2*1-20H;3*1-18H.

What are the key properties of 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole?

12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole has a molecular weight of 2341.93 g/mol, XLogP of 44.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4-bromophenyl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;21-[4-(4-bromophenyl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;11-[4-(4-bromophenyl)phenyl]benzo[a]carbazole;5-[4-(4-bromophenyl)phenyl]benzo[b]carbazole;7-[4-(4-bromophenyl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 165100462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).