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

C49H41N — CID 170445933

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

9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170445933) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• PubChem CID: 170445933
• Molecular Formula: C49H41N
• Molecular Weight: 643.87 g/mol
• Exact Mass: 643.32
• IUPAC Name: 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21
• InChI: InChI=1S/C49H41N/c1-49(2)45-23-13-11-22-42(45)44-32-43(39-26-25-35-17-9-10-20-38(35)31-39)48(33-46(44)49)50(40-29-27-36(28-30-40)34-15-5-3-6-16-34)47-24-14-12-21-41(47)37-18-7-4-8-19-37/h3-8,11-16,18-19,21-33H,9-10,17,20H2,1-2H3
• InChIKey: PPDNNWCPORWEOV-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.87
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170445933) is 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)CCCC4)c(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)cc21.

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

The InChIKey is PPDNNWCPORWEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-49(2)45-23-13-11-22-42(45)44-32-43(39-26-25-35-17-9-10-20-38(35)31-39)48(33-46(44)49)50(40-29-27-36(28-30-40)34-15-5-3-6-16-34)47-24-14-12-21-41(47)37-18-7-4-8-19-37/h3-8,11-16,18-19,21-33H,9-10,17,20H2,1-2H3.

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

9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 643.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170445933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).