N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

C68H48N2 — CID 167334048

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 167334048) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 167334048
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)ccc2-c2c1ccc1ccccc21
• InChI: InChI=1S/C68H48N2/c1-67(2)62-39-32-47-20-12-13-25-54(47)66(62)57-38-36-53(44-63(57)67)69(51-34-30-46(31-35-51)45-18-6-3-7-19-45)52-37-41-65-59(43-52)58-42-49(33-40-64(58)70(65)50-23-10-5-11-24-50)68(48-21-8-4-9-22-48)60-28-16-14-26-55(60)56-27-15-17-29-61(56)68/h3-44H,1-2H3
• InChIKey: GIUVZWYVLRZYLK-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.15
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (CID 167334048) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)ccc2-c2c1ccc1ccccc21.

What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is GIUVZWYVLRZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-67(2)62-39-32-47-20-12-13-25-54(47)66(62)57-38-36-53(44-63(57)67)69(51-34-30-46(31-35-51)45-18-6-3-7-19-45)52-37-41-65-59(43-52)58-42-49(33-40-64(58)70(65)50-23-10-5-11-24-50)68(48-21-8-4-9-22-48)60-28-16-14-26-55(60)56-27-15-17-29-61(56)68/h3-44H,1-2H3.

What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 893.15 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 167334048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).