9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C50H30N4 — CID 71109053

About 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 71109053) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 71109053
• Molecular Formula: C50H30N4
• Molecular Weight: 686.82 g/mol
• Exact Mass: 686.25
• IUPAC Name: 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-n2c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)c4ccccc4c3c3ccc4ccccc4c32)cc1
• InChI: InChI=1S/C50H30N4/c1-2-16-33(17-3-1)53-45-30-41(36-20-8-9-21-37(36)47(45)40-28-26-32-15-5-7-19-35(32)49(40)53)48-38-22-10-12-24-42(38)51-50(52-48)54-43-25-13-11-23-39(43)46-34-18-6-4-14-31(34)27-29-44(46)54/h1-30H
• InChIKey: QIIBOXCVVOZBIZ-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.82
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 71109053) is 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-n2c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)c4ccccc4c3c3ccc4ccccc4c32)cc1.

What is the InChIKey of 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is QIIBOXCVVOZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-16-33(17-3-1)53-45-30-41(36-20-8-9-21-37(36)47(45)40-28-26-32-15-5-7-19-35(32)49(40)53)48-38-22-10-12-24-42(38)51-50(52-48)54-43-25-13-11-23-39(43)46-34-18-6-4-14-31(34)27-29-44(46)54/h1-30H.

What are the key properties of 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 71109053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).