4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline

C99H70N4 — CID 70676513

About 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline

4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline (PubChem CID 70676513) has the molecular formula C99H70N4 and a molecular weight of 1315.68 g/mol. Its IUPAC name is 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline
• PubChem CID: 70676513
• Molecular Formula: C99H70N4
• Molecular Weight: 1315.68 g/mol
• Exact Mass: 1314.56
• IUPAC Name: 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline
• SMILES: Cc1cc(-c2ccc3c(c2)C(c2ccc(N(c4ccccc4)c4ccccc4)cc2)(c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(C)c4)ccc2-3)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C99H70N4/c1-67-63-71(43-59-85(67)69-39-51-83(52-40-69)102-95-35-19-15-31-89(95)90-32-16-20-36-96(90)102)73-45-61-87-88-62-46-74(72-44-60-86(68(2)64-72)70-41-53-84(54-42-70)103-97-37-21-17-33-91(97)92-34-18-22-38-98(92)103)66-94(88)99(93(87)65-73,75-47-55-81(56-48-75)100(77-23-7-3-8-24-77)78-25-9-4-10-26-78)76-49-57-82(58-50-76)101(79-27-11-5-12-28-79)80-29-13-6-14-30-80/h3-66H,1-2H3
• InChIKey: ZFYDYYMYBUSINC-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1315.68
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline?

The IUPAC name of 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline (CID 70676513) is 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline.

What is the SMILES notation for 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline?

The canonical SMILES for 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline is Cc1cc(-c2ccc3c(c2)C(c2ccc(N(c4ccccc4)c4ccccc4)cc2)(c2ccc(N(c4ccccc4)c4ccccc4)cc2)c2cc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(C)c4)ccc2-3)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.

What is the InChIKey of 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline?

The InChIKey is ZFYDYYMYBUSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H70N4/c1-67-63-71(43-59-85(67)69-39-51-83(52-40-69)102-95-35-19-15-31-89(95)90-32-16-20-36-96(90)102)73-45-61-87-88-62-46-74(72-44-60-86(68(2)64-72)70-41-53-84(54-42-70)103-97-37-21-17-33-91(97)92-34-18-22-38-98(92)103)66-94(88)99(93(87)65-73,75-47-55-81(56-48-75)100(77-23-7-3-8-24-77)78-25-9-4-10-26-78)76-49-57-82(58-50-76)101(79-27-11-5-12-28-79)80-29-13-6-14-30-80/h3-66H,1-2H3.

What are the key properties of 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline?

4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline has a molecular weight of 1315.68 g/mol, XLogP of 26.47, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,7-bis[4-(4-carbazol-9-ylphenyl)-3-methylphenyl]-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 70676513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).