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

C72H48N2 — CID 154590699

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590699) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590699
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 3-[9-(2-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-c7ccccc7-c7ccccc7)ccc65)cc4)c3)c2)cc1
• InChI: InChI=1S/C72H48N2/c1-3-19-49(20-4-1)53-23-17-25-55(45-53)56-26-18-24-54(46-56)50-37-39-52(40-38-50)59-27-7-8-29-61(59)62-30-10-14-34-68(62)74-70-36-16-12-32-64(70)66-48-58(42-44-72(66)74)57-41-43-71-65(47-57)63-31-11-15-35-69(63)73(71)67-33-13-9-28-60(67)51-21-5-2-6-22-51/h1-48H
• InChIKey: QCZXHWDDJUBOSI-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-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590699) is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(2-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-c7ccccc7-c7ccccc7)ccc65)cc4)c3)c2)cc1.

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

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

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

3-[9-(2-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-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).