N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

C68H48N2 — CID 166647123

About N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 166647123) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 166647123
• Molecular Formula: C68H48N2
• Molecular Weight: 893.15 g/mol
• Exact Mass: 892.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
• InChI: InChI=1S/C68H48N2/c1-67(2)59-29-15-11-25-53(59)56-40-39-52(42-62(56)67)69(50-36-33-47(34-37-50)45-19-5-3-6-20-45)66-43-58-57-28-14-18-32-64(57)70(51-38-35-46-21-9-10-22-48(46)41-51)65(58)44-63(66)68(49-23-7-4-8-24-49)60-30-16-12-26-54(60)55-27-13-17-31-61(55)68/h3-44H,1-2H3
• InChIKey: WTNNOTCJDNIZCS-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-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine (CID 166647123) is N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

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

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine?

N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(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-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 166647123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).