9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine

C47H39N — CID 170446119

About 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170446119) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
• PubChem CID: 170446119
• Molecular Formula: C47H39N
• Molecular Weight: 617.84 g/mol
• Exact Mass: 617.31
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc4c3CCCC4)c(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C47H39N/c1-47(2)43-24-11-10-22-40(43)41-30-42(39-23-12-18-34-16-6-8-20-37(34)39)46(31-44(41)47)48(45-25-13-19-35-17-7-9-21-38(35)45)36-28-26-33(27-29-36)32-14-4-3-5-15-32/h3-5,7,9-15,17-19,21-31H,6,8,16,20H2,1-2H3
• InChIKey: RGKWNZFUIXEQRJ-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 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine (CID 170446119) is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3cccc4c3CCCC4)c(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?

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

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)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 9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170446119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).