11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine

C53H39N — CID 164929259

About 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine

11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine (PubChem CID 164929259) has the molecular formula C53H39N and a molecular weight of 689.90 g/mol. Its IUPAC name is 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine.

Molecular Properties

• Compound Name: 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
• PubChem CID: 164929259
• Molecular Formula: C53H39N
• Molecular Weight: 689.90 g/mol
• Exact Mass: 689.31
• IUPAC Name: 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c21
• InChI: InChI=1S/C53H39N/c1-53(2)49-19-11-10-18-48(49)51-50(35-44-16-8-9-17-47(44)52(51)53)54(46-32-28-41(29-33-46)43-25-24-37-14-6-7-15-42(37)34-43)45-30-26-40(27-31-45)39-22-20-38(21-23-39)36-12-4-3-5-13-36/h3-35H,1-2H3
• InChIKey: KDMZHDNBSLBKMP-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.90
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine?

The IUPAC name of 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine (CID 164929259) is 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine.

What is the SMILES notation for 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine?

The canonical SMILES for 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c21.

What is the InChIKey of 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine?

The InChIKey is KDMZHDNBSLBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N/c1-53(2)49-19-11-10-18-48(49)51-50(35-44-16-8-9-17-47(44)52(51)53)54(46-32-28-41(29-33-46)43-25-24-37-14-6-7-15-42(37)34-43)45-30-26-40(27-31-45)39-22-20-38(21-23-39)36-12-4-3-5-13-36/h3-35H,1-2H3.

What are the key properties of 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine?

11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine has a molecular weight of 689.90 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).