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

C72H48N2 — CID 154590343

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590343) 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-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590343
• Molecular Formula: C72H48N2
• Molecular Weight: 941.19 g/mol
• Exact Mass: 940.38
• IUPAC Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9-c9ccccc9)ccc87)cc6)cc5)c4)c3)c2)cc1
• InChI: InChI=1S/C72H48N2/c1-3-16-49(17-4-1)54-20-13-22-56(44-54)58-24-15-25-59(46-58)57-23-14-21-55(45-57)52-34-32-50(33-35-52)51-36-40-62(41-37-51)73-69-30-11-8-27-64(69)66-47-60(38-42-71(66)73)61-39-43-72-67(48-61)65-28-9-12-31-70(65)74(72)68-29-10-7-26-63(68)53-18-5-2-6-19-53/h1-48H
• InChIKey: FYMDTUQCAJBDRE-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-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590343) is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9-c9ccccc9)ccc87)cc6)cc5)c4)c3)c2)cc1.

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

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

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[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-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).