9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole

C73H50N2 — CID 134168075

About 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole

9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole (PubChem CID 134168075) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
• PubChem CID: 134168075
• Molecular Formula: C73H50N2
• Molecular Weight: 955.22 g/mol
• Exact Mass: 954.40
• IUPAC Name: 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(C(c7ccccc7)c7ccccc7)cc6)ccc54)c3)c2)cc1
• InChI: InChI=1S/C73H50N2/c1-6-19-50(20-7-1)57-35-40-71-67(47-57)68-49-59(37-42-72(68)74(71)63-38-33-55(34-39-63)73(53-25-12-4-13-26-53)54-27-14-5-15-28-54)58-36-41-70-66(48-58)65-31-16-17-32-69(65)75(70)64-30-18-29-56(46-64)62-44-60(51-21-8-2-9-22-51)43-61(45-62)52-23-10-3-11-24-52/h1-49,73H
• InChIKey: BJBRLMUVOZFACR-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.22
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?

The IUPAC name of 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole (CID 134168075) is 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole.

What is the SMILES notation for 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?

The canonical SMILES for 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccc(C(c7ccccc7)c7ccccc7)cc6)ccc54)c3)c2)cc1.

What is the InChIKey of 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?

The InChIKey is BJBRLMUVOZFACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-6-19-50(20-7-1)57-35-40-71-67(47-57)68-49-59(37-42-72(68)74(71)63-38-33-55(34-39-63)73(53-25-12-4-13-26-53)54-27-14-5-15-28-54)58-36-41-70-66(48-58)65-31-16-17-32-69(65)75(70)64-30-18-29-56(46-64)62-44-60(51-21-8-2-9-22-51)43-61(45-62)52-23-10-3-11-24-52/h1-49,73H.

What are the key properties of 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole?

9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole has a molecular weight of 955.22 g/mol, XLogP of 19.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole is sourced from PubChem (CID 134168075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).