2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile

C119H67N15 — CID 161249923

About 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile

2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile (PubChem CID 161249923) has the molecular formula C119H67N15 and a molecular weight of 1706.95 g/mol. Its IUPAC name is 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile.

Molecular Properties

• Compound Name: 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile
• PubChem CID: 161249923
• Molecular Formula: C119H67N15
• Molecular Weight: 1706.95 g/mol
• Exact Mass: 1705.57
• IUPAC Name: 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile
• SMILES: N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccccc65)cc4ccc32)nc2ccccc12
• InChI: InChI=1S/2C41H23N5.C37H21N5/c42-24-35-32-12-3-6-14-34(32)43-41(44-35)46-37-16-8-5-13-33(37)39-28-21-19-27(23-26(28)18-22-38(39)46)45-36-15-7-4-11-30(36)31-20-17-25-9-1-2-10-29(25)40(31)45;42-24-34-30-11-3-6-14-33(30)43-41(44-34)46-36-16-8-5-13-32(36)40-29-20-19-27(23-26(29)18-22-38(40)46)45-35-15-7-4-12-31(35)39-28-10-2-1-9-25(28)17-21-37(39)45;38-22-31-28-11-1-5-13-30(28)39-37(40-31)42-34-16-8-4-12-29(34)36-25-19-18-24(21-23(25)17-20-35(36)42)41-32-14-6-2-9-26(32)27-10-3-7-15-33(27)41/h2*1-23H;1-21H
• InChIKey: VBDDTJTXAUFQKC-UHFFFAOYSA-N
• XLogP: 28.85
• TPSA: 178.29 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.95
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile?

The IUPAC name of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile (CID 161249923) is 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile.

What is the SMILES notation for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile?

The canonical SMILES for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile is N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccc7ccccc7c65)cc4ccc32)nc2ccccc12.N#Cc1nc(-n2c3ccccc3c3c4ccc(-n5c6ccccc6c6ccccc65)cc4ccc32)nc2ccccc12.

What is the InChIKey of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile?

The InChIKey is VBDDTJTXAUFQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H23N5.C37H21N5/c42-24-35-32-12-3-6-14-34(32)43-41(44-35)46-37-16-8-5-13-33(37)39-28-21-19-27(23-26(28)18-22-38(39)46)45-36-15-7-4-11-30(36)31-20-17-25-9-1-2-10-29(25)40(31)45;42-24-34-30-11-3-6-14-33(30)43-41(44-34)46-36-16-8-5-13-32(36)40-29-20-19-27(23-26(29)18-22-38(40)46)45-35-15-7-4-12-31(35)39-28-10-2-1-9-25(28)17-21-37(39)45;38-22-31-28-11-1-5-13-30(28)39-37(40-31)42-34-16-8-4-12-29(34)36-25-19-18-24(21-23(25)17-20-35(36)42)41-32-14-6-2-9-26(32)27-10-3-7-15-33(27)41/h2*1-23H;1-21H.

What are the key properties of 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile?

2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile has a molecular weight of 1706.95 g/mol, XLogP of 28.85, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzo[a]carbazol-11-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile;2-(3-carbazol-9-ylbenzo[c]carbazol-7-yl)quinazoline-4-carbonitrile is sourced from PubChem (CID 161249923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).