5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole

C52H32N4 — CID 71109304

About 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole

5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole (PubChem CID 71109304) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
• PubChem CID: 71109304
• Molecular Formula: C52H32N4
• Molecular Weight: 712.86 g/mol
• Exact Mass: 712.26
• IUPAC Name: 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C52H32N4/c1-2-15-36(16-3-1)55-45-24-12-9-21-41(45)50-39-19-7-6-18-38(39)43(32-48(50)55)34-26-28-35(29-27-34)51-40-20-8-11-23-44(40)53-52(54-51)56-46-25-13-10-22-42(46)49-37-17-5-4-14-33(37)30-31-47(49)56/h1-32H
• InChIKey: CLNMGXMZCUVCON-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.86
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole?

The IUPAC name of 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole (CID 71109304) is 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole.

What is the SMILES notation for 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole?

The canonical SMILES for 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)cc4)cc32)cc1.

What is the InChIKey of 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole?

The InChIKey is CLNMGXMZCUVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-15-36(16-3-1)55-45-24-12-9-21-41(45)50-39-19-7-6-18-38(39)43(32-48(50)55)34-26-28-35(29-27-34)51-40-20-8-11-23-44(40)53-52(54-51)56-46-25-13-10-22-42(46)49-37-17-5-4-14-33(37)30-31-47(49)56/h1-32H.

What are the key properties of 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole?

5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 71109304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).