7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole

C52H38N4 — CID 147850713

About 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole

7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole (PubChem CID 147850713) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
• PubChem CID: 147850713
• Molecular Formula: C52H38N4
• Molecular Weight: 718.90 g/mol
• Exact Mass: 718.31
• IUPAC Name: 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
• SMILES: CC(C)(C)c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3c3c4ccccc4ccc32)cc1
• InChI: InChI=1S/C52H38N4/c1-52(2,3)37-24-26-38(27-25-37)55-47-29-23-36(32-43(47)49-39-16-8-7-13-33(39)21-30-48(49)55)35-22-28-46-42(31-35)40-17-10-12-20-45(40)56(46)51-53-44-19-11-9-18-41(44)50(54-51)34-14-5-4-6-15-34/h4-32H,1-3H3
• InChIKey: HUTPNNRZQPWEFU-UHFFFAOYSA-N
• XLogP: 13.61
• 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	718.90
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole?

The IUPAC name of 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole (CID 147850713) is 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole.

What is the SMILES notation for 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole?

The canonical SMILES for 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole is CC(C)(C)c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccccc5)c5ccccc5n4)cc3c3c4ccccc4ccc32)cc1.

What is the InChIKey of 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole?

The InChIKey is HUTPNNRZQPWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-52(2,3)37-24-26-38(27-25-37)55-47-29-23-36(32-43(47)49-39-16-8-7-13-33(39)21-30-48(49)55)35-22-28-46-42(31-35)40-17-10-12-20-45(40)56(46)51-53-44-19-11-9-18-41(44)50(54-51)34-14-5-4-6-15-34/h4-32H,1-3H3.

What are the key properties of 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole?

7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole has a molecular weight of 718.90 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 147850713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).