3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole

C66H44N2 — CID 139319523

About 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole

3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole (PubChem CID 139319523) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
• PubChem CID: 139319523
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)c2)cc1
• InChI: InChI=1S/C66H44N2/c1-5-17-45(18-6-1)51-25-15-26-55(41-51)67-64-40-37-54(44-60(64)66-56(28-16-30-65(66)67)49-21-9-3-10-22-49)48-33-31-47(32-34-48)53-36-39-63-59(43-53)57-27-13-14-29-61(57)68(63)62-38-35-52(46-19-7-2-8-20-46)42-58(62)50-23-11-4-12-24-50/h1-44H
• InChIKey: WAMXYJMJVWHPNX-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.09
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole?

The IUPAC name of 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole (CID 139319523) is 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole?

The canonical SMILES for 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccccc7)cc6-c6ccccc6)cc5)cc4c4c(-c5ccccc5)cccc43)c2)cc1.

What is the InChIKey of 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole?

The InChIKey is WAMXYJMJVWHPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-5-17-45(18-6-1)51-25-15-26-55(41-51)67-64-40-37-54(44-60(64)66-56(28-16-30-65(66)67)49-21-9-3-10-22-49)48-33-31-47(32-34-48)53-36-39-63-59(43-53)57-27-13-14-29-61(57)68(63)62-38-35-52(46-19-7-2-8-20-46)42-58(62)50-23-11-4-12-24-50/h1-44H.

What are the key properties of 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole?

3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole has a molecular weight of 865.09 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 139319523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).