N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

C80H62N2 — CID 155614251

About N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155614251) has the molecular formula C80H62N2 and a molecular weight of 1051.39 g/mol. Its IUPAC name is N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 155614251
• Molecular Formula: C80H62N2
• Molecular Weight: 1051.39 g/mol
• Exact Mass: 1050.49
• IUPAC Name: N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
• InChI: InChI=1S/C80H62N2/c1-5-53(2)54-29-31-57(32-30-54)59-37-47-77-71(49-59)72-50-60(38-48-78(72)82(77)66-44-45-69-67-25-15-17-27-73(67)79(3,4)75(69)51-66)58-35-41-64(42-36-58)81(63-39-33-56(34-40-63)55-19-9-6-10-20-55)65-43-46-70-68-26-16-18-28-74(68)80(76(70)52-65,61-21-11-7-12-22-61)62-23-13-8-14-24-62/h6-53H,5H2,1-4H3
• InChIKey: WKPDZNONKSHGKK-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1051.39
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155614251) is N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is WKPDZNONKSHGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2/c1-5-53(2)54-29-31-57(32-30-54)59-37-47-77-71(49-59)72-50-60(38-48-78(72)82(77)66-44-45-69-67-25-15-17-27-73(67)79(3,4)75(69)51-66)58-35-41-64(42-36-58)81(63-39-33-56(34-40-63)55-19-9-6-10-20-55)65-43-46-70-68-26-16-18-28-74(68)80(76(70)52-65,61-21-11-7-12-22-61)62-23-13-8-14-24-62/h6-53H,5H2,1-4H3.

What are the key properties of N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1051.39 g/mol, XLogP of 21.44, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4-butan-2-ylphenyl)-9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155614251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).