11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine

C52H39N — CID 164774822

About 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine

11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (PubChem CID 164774822) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.

Molecular Properties

• Compound Name: 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
• PubChem CID: 164774822
• Molecular Formula: C52H39N
• Molecular Weight: 677.89 g/mol
• Exact Mass: 677.31
• IUPAC Name: 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
• SMILES: Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C52H39N/c1-34-19-21-35(22-20-34)36-23-26-41(27-24-36)53(42-28-29-45-47-31-39-13-4-5-14-40(39)32-48(47)52(2,3)49(45)33-42)50-30-25-38-12-7-9-17-44(38)51(50)46-18-10-15-37-11-6-8-16-43(37)46/h4-33H,1-3H3
• InChIKey: XSSIDYNFXHCDQF-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.89
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The IUPAC name of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine (CID 164774822) is 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine.

What is the SMILES notation for 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The canonical SMILES for 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is Cc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc5ccccc5cc3-4)c3ccc4ccccc4c3-c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

The InChIKey is XSSIDYNFXHCDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-34-19-21-35(22-20-34)36-23-26-41(27-24-36)53(42-28-29-45-47-31-39-13-4-5-14-40(39)32-48(47)52(2,3)49(45)33-42)50-30-25-38-12-7-9-17-44(38)51(50)46-18-10-15-37-11-6-8-16-43(37)46/h4-33H,1-3H3.

What are the key properties of 11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine?

11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine has a molecular weight of 677.89 g/mol, XLogP of 14.56, 5 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-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 164774822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).