10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

C149H92N14O2P2 — CID 159192304

About 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline

10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 159192304) has the molecular formula C149H92N14O2P2 and a molecular weight of 2172.42 g/mol. Its IUPAC name is 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
• PubChem CID: 159192304
• Molecular Formula: C149H92N14O2P2
• Molecular Weight: 2172.42 g/mol
• Exact Mass: 2170.70
• IUPAC Name: 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
• SMILES: O=P(c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4c4nc6ccccc6n54)cc31)n1c3ccccc3nc21
• InChI: InChI=1S/2C52H33N4OP.C45H26N6/c57-58(49-25-11-15-35-13-1-3-17-39(35)49,50-26-12-16-36-14-2-4-18-40(36)50)38-30-27-34(28-31-38)37-29-32-42-41-19-6-9-23-46(41)55(48(42)33-37)52-54-44-21-7-5-20-43(44)51-53-45-22-8-10-24-47(45)56(51)52;57-58(41-28-23-34-11-1-3-13-37(34)31-41,42-29-24-35-12-2-4-14-38(35)32-42)40-26-21-36(22-27-40)39-25-30-44-43-15-6-9-19-48(43)55(50(44)33-39)52-54-46-17-7-5-16-45(46)51-53-47-18-8-10-20-49(47)56(51)52;1-2-13-32-29(11-1)34-25-27(22-24-39(34)49-40-19-9-6-16-36(40)46-43(32)49)28-21-23-31-30-12-4-8-18-38(30)50(42(31)26-28)45-48-35-15-5-3-14-33(35)44-47-37-17-7-10-20-41(37)51(44)45/h2*1-33H;1-26H
• InChIKey: KOFWCLVVVYHOTC-UHFFFAOYSA-N
• XLogP: 34.40
• TPSA: 156.80 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.42
LogP ≤ 5	34.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The IUPAC name of 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline (CID 159192304) is 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The canonical SMILES for 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is O=P(c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.O=P(c1ccc(-c2ccc3c4ccccc4n(-c4nc5ccccc5c5nc6ccccc6n45)c3c2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.c1ccc2c(c1)nc(-n1c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4c4nc6ccccc6n54)cc31)n1c3ccccc3nc21.

What is the InChIKey of 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

The InChIKey is KOFWCLVVVYHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N4OP.C45H26N6/c57-58(49-25-11-15-35-13-1-3-17-39(35)49,50-26-12-16-36-14-2-4-18-40(36)50)38-30-27-34(28-31-38)37-29-32-42-41-19-6-9-23-46(41)55(48(42)33-37)52-54-44-21-7-5-20-43(44)51-53-45-22-8-10-24-47(45)56(51)52;57-58(41-28-23-34-11-1-3-13-37(34)31-41,42-29-24-35-12-2-4-14-38(35)32-42)40-26-21-36(22-27-40)39-25-30-44-43-15-6-9-19-48(43)55(50(44)33-39)52-54-46-17-7-5-16-45(46)51-53-47-18-8-10-20-49(47)56(51)52;1-2-13-32-29(11-1)34-25-27(22-24-39(34)49-40-19-9-6-16-36(40)46-43(32)49)28-21-23-31-30-12-4-8-18-38(30)50(42(31)26-28)45-48-35-15-5-3-14-33(35)44-47-37-17-7-10-20-41(37)51(44)45/h2*1-33H;1-26H.

What are the key properties of 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline?

10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 2172.42 g/mol, XLogP of 34.40, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[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(13),9,11,15,17,19-decaene;6-[2-(4-dinaphthalen-1-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[2-(4-dinaphthalen-2-ylphosphorylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 159192304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).