N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine

C53H48N2 — CID 170277086

About N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine (PubChem CID 170277086) has the molecular formula C53H48N2 and a molecular weight of 712.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
• PubChem CID: 170277086
• Molecular Formula: C53H48N2
• Molecular Weight: 712.98 g/mol
• Exact Mass: 712.38
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc43)ccc21
• InChI: InChI=1S/C53H48N2/c1-51(2)30-31-52(3,4)47-33-37(26-29-45(47)51)55-49-23-15-12-20-42(49)43-28-25-38(34-50(43)55)54(48-22-14-11-18-39(48)35-16-8-7-9-17-35)36-24-27-41-40-19-10-13-21-44(40)53(5,6)46(41)32-36/h7-29,32-34H,30-31H2,1-6H3
• InChIKey: CMBMZUWOYHAXEA-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.98
LogP ≤ 5	14.58
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)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine (CID 170277086) is N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc43)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine?

The InChIKey is CMBMZUWOYHAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N2/c1-51(2)30-31-52(3,4)47-33-37(26-29-45(47)51)55-49-23-15-12-20-42(49)43-28-25-38(34-50(43)55)54(48-22-14-11-18-39(48)35-16-8-7-9-17-35)36-24-27-41-40-19-10-13-21-44(40)53(5,6)46(41)32-36/h7-29,32-34H,30-31H2,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine has a molecular weight of 712.98 g/mol, XLogP of 14.58, 5 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)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine is sourced from PubChem (CID 170277086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).