7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole

C54H32N4S — CID 163570755

About 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole

7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole (PubChem CID 163570755) has the molecular formula C54H32N4S and a molecular weight of 768.95 g/mol. Its IUPAC name is 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole
• PubChem CID: 163570755
• Molecular Formula: C54H32N4S
• Molecular Weight: 768.95 g/mol
• Exact Mass: 768.23
• IUPAC Name: 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cc(-n6c7ccccc7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cccc32)cc1
• InChI: InChI=1S/C54H32N4S/c1-2-16-34(17-3-1)57-45-25-11-8-22-40(45)51-41(23-14-27-47(51)57)52-38-20-6-10-24-44(38)55-54(56-52)43-32-35(31-42-37-19-9-13-28-49(37)59-53(42)43)58-46-26-12-7-21-39(46)50-36-18-5-4-15-33(36)29-30-48(50)58/h1-32H
• InChIKey: KMLGRIOVVSNJCF-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.95
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole?

The IUPAC name of 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole (CID 163570755) is 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole.

What is the SMILES notation for 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole?

The canonical SMILES for 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5cc(-n6c7ccccc7c7c8ccccc8ccc76)cc6c5sc5ccccc56)nc5ccccc45)cccc32)cc1.

What is the InChIKey of 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole?

The InChIKey is KMLGRIOVVSNJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4S/c1-2-16-34(17-3-1)57-45-25-11-8-22-40(45)51-41(23-14-27-47(51)57)52-38-20-6-10-24-44(38)55-54(56-52)43-32-35(31-42-37-19-9-13-28-49(37)59-53(42)43)58-46-26-12-7-21-39(46)50-36-18-5-4-15-33(36)29-30-48(50)58/h1-32H.

What are the key properties of 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole?

7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole has a molecular weight of 768.95 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]dibenzothiophen-2-yl]benzo[c]carbazole is sourced from PubChem (CID 163570755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).