1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

C66H44N2 — CID 154590389

About 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole

1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 154590389) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590389
• Molecular Formula: C66H44N2
• Molecular Weight: 865.09 g/mol
• Exact Mass: 864.35
• IUPAC Name: 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9ccccc9)c8)c76)cc5)cc4)c3)c2)cc1
• InChI: InChI=1S/C66H44N2/c1-3-15-45(16-4-1)50-19-11-21-52(41-50)53-22-12-20-51(42-53)49-33-31-47(32-34-49)48-35-38-56(39-36-48)68-64-30-10-7-25-59(64)61-28-14-27-58(66(61)68)55-37-40-65-62(44-55)60-26-8-9-29-63(60)67(65)57-24-13-23-54(43-57)46-17-5-2-6-18-46/h1-44H
• InChIKey: MSBYUYPBEDBBQA-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 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole (CID 154590389) is 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole.

What is the SMILES notation for 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?

The canonical SMILES for 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7cccc(-c8ccc9c(c8)c8ccccc8n9-c8cccc(-c9ccccc9)c8)c76)cc5)cc4)c3)c2)cc1.

What is the InChIKey of 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?

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

What are the key properties of 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole?

1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]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 1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).