9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine

C49H41N — CID 170538705

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

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538705) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• PubChem CID: 170538705
• Molecular Formula: C49H41N
• Molecular Weight: 643.87 g/mol
• Exact Mass: 643.32
• IUPAC Name: 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)cc21
• InChI: InChI=1S/C49H41N/c1-49(2)47-18-9-8-16-45(47)46-32-31-42(33-48(46)49)50(41-29-25-39(26-30-41)44-17-10-14-38-13-6-7-15-43(38)44)40-27-23-37(24-28-40)36-21-19-35(20-22-36)34-11-4-3-5-12-34/h3-5,8-12,14,16-33H,6-7,13,15H2,1-2H3
• InChIKey: RSMSCBLCLWPJFC-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-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170538705) is 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)cc21.

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

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

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

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]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-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).