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

C85H56N2 — CID 154590608

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 154590608) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• PubChem CID: 154590608
• Molecular Formula: C85H56N2
• Molecular Weight: 1105.40 g/mol
• Exact Mass: 1104.44
• IUPAC Name: 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccc(-c5ccc(-c6cccc(C7(c8ccccc8-c8ccccc8)c8ccccc8-c8ccccc87)c6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C85H56N2/c1-3-22-60(23-4-1)67-28-7-14-35-76(67)85(77-36-15-8-31-70(77)71-32-9-16-37-78(71)85)66-27-21-26-63(54-66)59-44-42-57(43-45-59)58-46-48-62(49-47-58)69-30-11-18-39-80(69)87-82-41-20-13-34-73(82)75-56-65(51-53-84(75)87)64-50-52-83-74(55-64)72-33-12-19-40-81(72)86(83)79-38-17-10-29-68(79)61-24-5-2-6-25-61/h1-56H
• InChIKey: NUSNWBCXTCWOLH-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.40
LogP ≤ 5	22.25
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-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole?

The IUPAC name of 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole (CID 154590608) is 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4-c4ccc(-c5ccc(-c6cccc(C7(c8ccccc8-c8ccccc8)c8ccccc8-c8ccccc87)c6)cc5)cc4)ccc32)cc1.

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

The InChIKey is NUSNWBCXTCWOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N2/c1-3-22-60(23-4-1)67-28-7-14-35-76(67)85(77-36-15-8-31-70(77)71-32-9-16-37-78(71)85)66-27-21-26-63(54-66)59-44-42-57(43-45-59)58-46-48-62(49-47-58)69-30-11-18-39-80(69)87-82-41-20-13-34-73(82)75-56-65(51-53-84(75)87)64-50-52-83-74(55-64)72-33-12-19-40-81(72)86(83)79-38-17-10-29-68(79)61-24-5-2-6-25-61/h1-56H.

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

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 1105.40 g/mol, XLogP of 22.25, 10 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-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 154590608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).