11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine

C47H39N — CID 170538826

About 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine

11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine (PubChem CID 170538826) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine.

Molecular Properties

• Compound Name: 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
• PubChem CID: 170538826
• Molecular Formula: C47H39N
• Molecular Weight: 617.84 g/mol
• Exact Mass: 617.31
• IUPAC Name: 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)ccc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C47H39N/c1-47(2)45-30-37-15-7-6-14-36(37)29-44(45)43-28-27-40(31-46(43)47)48(38-23-19-33(20-24-38)32-11-4-3-5-12-32)39-25-21-35(22-26-39)42-18-10-16-34-13-8-9-17-41(34)42/h3-7,10-12,14-16,18-31H,8-9,13,17H2,1-2H3
• InChIKey: BQUOSKMMPGUOGJ-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.84
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine?

The IUPAC name of 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine (CID 170538826) is 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine.

What is the SMILES notation for 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine?

The canonical SMILES for 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)ccc2-c2cc3ccccc3cc21.

What is the InChIKey of 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine?

The InChIKey is BQUOSKMMPGUOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-47(2)45-30-37-15-7-6-14-36(37)29-44(45)43-28-27-40(31-46(43)47)48(38-23-19-33(20-24-38)32-11-4-3-5-12-32)39-25-21-35(22-26-39)42-18-10-16-34-13-8-9-17-41(34)42/h3-7,10-12,14-16,18-31H,8-9,13,17H2,1-2H3.

What are the key properties of 11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine?

11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine has a molecular weight of 617.84 g/mol, XLogP of 12.83, 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-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine is sourced from PubChem (CID 170538826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).