5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine

C128H77N17 — CID 162169497

About 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine

5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine (PubChem CID 162169497) has the molecular formula C128H77N17 and a molecular weight of 1853.14 g/mol. Its IUPAC name is 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine.

Molecular Properties

• Compound Name: 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine
• PubChem CID: 162169497
• Molecular Formula: C128H77N17
• Molecular Weight: 1853.14 g/mol
• Exact Mass: 1851.65
• IUPAC Name: 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6nc54)cc31)n1c3ccccc3nc21.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5nc6c7ccccc7c7ccccc7n6c5c4)cc31)n1c3ccccc3nc21
• InChI: InChI=1S/2C45H26N6.C38H25N5/c1-4-14-35-33(13-1)44-47-37-16-6-10-20-41(37)51(44)45(48-35)50-39-18-8-2-11-29(39)31-23-21-28(26-42(31)50)27-22-24-32-34(25-27)30-12-3-7-17-38(30)49-40-19-9-5-15-36(40)46-43(32)49;1-2-14-33-29(11-1)30-12-4-8-18-38(30)49-42-26-28(22-24-37(42)47-43(33)49)27-21-23-32-31-13-5-9-19-39(31)50(41(32)25-27)45-48-35-16-6-3-15-34(35)44-46-36-17-7-10-20-40(36)51(44)45;1-3-13-26(14-4-1)41(27-15-5-2-6-16-27)28-23-24-30-29-17-8-11-21-34(29)42(36(30)25-28)38-40-32-19-9-7-18-31(32)37-39-33-20-10-12-22-35(33)43(37)38/h2*1-26H;1-25H
• InChIKey: ZNPAKFFVBHOHDH-UHFFFAOYSA-N
• XLogP: 31.42
• TPSA: 143.20 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.14
LogP ≤ 5	31.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine?

The IUPAC name of 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine (CID 162169497) is 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine.

What is the SMILES notation for 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine?

The canonical SMILES for 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n4c6ccccc6nc54)cc31)n1c3ccccc3nc21.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5nc6c7ccccc7c7ccccc7n6c5c4)cc31)n1c3ccccc3nc21.

What is the InChIKey of 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine?

The InChIKey is ZNPAKFFVBHOHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H26N6.C38H25N5/c1-4-14-35-33(13-1)44-47-37-16-6-10-20-41(37)51(44)45(48-35)50-39-18-8-2-11-29(39)31-23-21-28(26-42(31)50)27-22-24-32-34(25-27)30-12-3-7-17-38(30)49-40-19-9-5-15-36(40)46-43(32)49;1-2-14-33-29(11-1)30-12-4-8-18-38(30)49-42-26-28(22-24-37(42)47-43(33)49)27-21-23-32-31-13-5-9-19-39(31)50(41(32)25-27)45-48-35-16-6-3-15-34(35)44-46-36-17-7-10-20-40(36)51(44)45;1-3-13-26(14-4-1)41(27-15-5-2-6-16-27)28-23-24-30-29-17-8-11-21-34(29)42(36(30)25-28)38-40-32-19-9-7-18-31(32)37-39-33-20-10-12-22-35(33)43(37)38/h2*1-26H;1-25H.

What are the key properties of 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine?

5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine has a molecular weight of 1853.14 g/mol, XLogP of 31.42, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;17-[9-(benzimidazolo[1,2-c]quinazolin-6-yl)carbazol-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene;9-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 162169497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).