N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine

C66H44N4 — CID 154952408

About N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine

N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine (PubChem CID 154952408) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine
• PubChem CID: 154952408
• Molecular Formula: C66H44N4
• Molecular Weight: 893.11 g/mol
• Exact Mass: 892.36
• IUPAC Name: N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1
• InChI: InChI=1S/C66H44N4/c1-5-16-45(17-6-1)48-28-30-51(31-29-48)66-67-61-40-38-56(43-60(61)65(68-66)53-24-15-23-52(42-53)47-20-9-3-10-21-47)70-62-41-34-50-22-13-14-27-58(50)64(62)59-39-37-57(44-63(59)70)69(54-25-11-4-12-26-54)55-35-32-49(33-36-55)46-18-7-2-8-19-46/h1-44H
• InChIKey: NSWBCICPQWWRLZ-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.11
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine?

The IUPAC name of N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine (CID 154952408) is N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine.

What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine?

The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(N(c7ccccc7)c7ccc(-c8ccccc8)cc7)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.

What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine?

The InChIKey is NSWBCICPQWWRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-5-16-45(17-6-1)48-28-30-51(31-29-48)66-67-61-40-38-56(43-60(61)65(68-66)53-24-15-23-52(42-53)47-20-9-3-10-21-47)70-62-41-34-50-22-13-14-27-58(50)64(62)59-39-37-57(44-63(59)70)69(54-25-11-4-12-26-54)55-35-32-49(33-36-55)46-18-7-2-8-19-46/h1-44H.

What are the key properties of N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine?

N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine has a molecular weight of 893.11 g/mol, XLogP of 17.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine is sourced from PubChem (CID 154952408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).