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

C72H48N2 — CID 154590633

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

3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590633) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590633
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5-c5ccccc5-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc65)cc4)c3)c2)cc1
• InChI: InChI=1S/C72H48N2/c1-3-18-49(19-4-1)53-22-15-24-55(44-53)56-25-16-23-54(45-56)51-36-38-52(39-37-51)61-28-7-8-29-62(61)63-30-9-13-34-69(63)74-70-35-14-11-32-65(70)67-48-59(41-43-72(67)74)58-40-42-71-66(47-58)64-31-10-12-33-68(64)73(71)60-27-17-26-57(46-60)50-20-5-2-6-21-50/h1-48H
• InChIKey: IQGXLFROUYBXAA-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.19
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590633) is 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5ccccc5-c5ccccc5-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc65)cc4)c3)c2)cc1.

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

The InChIKey is IQGXLFROUYBXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-3-18-49(19-4-1)53-22-15-24-55(44-53)56-25-16-23-54(45-56)51-36-38-52(39-37-51)61-28-7-8-29-62(61)63-30-9-13-34-69(63)74-70-35-14-11-32-65(70)67-48-59(41-43-72(67)74)58-40-42-71-66(47-58)64-31-10-12-33-68(64)73(71)60-27-17-26-57(46-60)50-20-5-2-6-21-50/h1-48H.

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

3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 941.19 g/mol, XLogP of 19.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).