9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine

C57H43N — CID 168790837

About 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine

9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (PubChem CID 168790837) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
• PubChem CID: 168790837
• Molecular Formula: C57H43N
• Molecular Weight: 741.98 g/mol
• Exact Mass: 741.34
• IUPAC Name: 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21
• InChI: InChI=1S/C57H43N/c1-57(2)52-30-16-14-27-49(52)51-39-45(37-38-53(51)57)58(54-31-17-15-26-47(54)44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-18-29-48(43-23-10-5-11-24-43)56(55)50-28-13-12-25-46(50)42-21-8-4-9-22-42/h3-39H,1-2H3
• InChIKey: IDSAVJGVGJTWGN-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.98
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine (CID 168790837) is 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)ccc21.

What is the InChIKey of 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?

The InChIKey is IDSAVJGVGJTWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)52-30-16-14-27-49(52)51-39-45(37-38-53(51)57)58(54-31-17-15-26-47(54)44-35-33-41(34-36-44)40-19-6-3-7-20-40)55-32-18-29-48(43-23-10-5-11-24-43)56(55)50-28-13-12-25-46(50)42-21-8-4-9-22-42/h3-39H,1-2H3.

What are the key properties of 9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine?

9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 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-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 168790837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).