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

C52H42N2 — CID 166906503

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

9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 166906503) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 166906503
• Molecular Formula: C52H42N2
• Molecular Weight: 694.92 g/mol
• Exact Mass: 694.33
• IUPAC Name: 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(CC4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccc(-c4ccccc4)cc3)cc21
• InChI: InChI=1S/C52H42N2/c1-52(2)48-19-11-9-17-44(48)45-31-30-43(35-49(45)52)53(42-28-24-39(25-29-42)38-13-5-3-6-14-38)41-26-21-36(22-27-41)33-37-23-32-51-47(34-37)46-18-10-12-20-50(46)54(51)40-15-7-4-8-16-40/h3-32,35,37H,33-34H2,1-2H3
• InChIKey: LBLNKSALTDVKKY-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.92
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 166906503) is 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(CC4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccc(-c4ccccc4)cc3)cc21.

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

The InChIKey is LBLNKSALTDVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-52(2)48-19-11-9-17-44(48)45-31-30-43(35-49(45)52)53(42-28-24-39(25-29-42)38-13-5-3-6-14-38)41-26-21-36(22-27-41)33-37-23-32-51-47(34-37)46-18-10-12-20-50(46)54(51)40-15-7-4-8-16-40/h3-32,35,37H,33-34H2,1-2H3.

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

9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 694.92 g/mol, XLogP of 13.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166906503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).