N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine

C53H44N2 — CID 139297492

About N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine

N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine (PubChem CID 139297492) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
• PubChem CID: 139297492
• Molecular Formula: C53H44N2
• Molecular Weight: 708.95 g/mol
• Exact Mass: 708.35
• IUPAC Name: N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
• SMILES: CC1CC=CC=C1N(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(Cc3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C53H44N2/c1-36-13-7-11-19-50(36)54(43-30-31-45-44-16-8-10-18-48(44)53(2,3)49(45)35-43)41-28-23-39(24-29-41)40-25-32-52-47(34-40)46-17-9-12-20-51(46)55(52)42-26-21-38(22-27-42)33-37-14-5-4-6-15-37/h4-12,14-32,34-36H,13,33H2,1-3H3
• InChIKey: SFVOHQQBXWIULJ-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.95
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine?

The IUPAC name of N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine (CID 139297492) is N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine.

What is the SMILES notation for N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine?

The canonical SMILES for N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine is CC1CC=CC=C1N(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(Cc3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine?

The InChIKey is SFVOHQQBXWIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-36-13-7-11-19-50(36)54(43-30-31-45-44-16-8-10-18-48(44)53(2,3)49(45)35-43)41-28-23-39(24-29-41)40-25-32-52-47(34-40)46-17-9-12-20-51(46)55(52)42-26-21-38(22-27-42)33-37-14-5-4-6-15-37/h4-12,14-32,34-36H,13,33H2,1-3H3.

What are the key properties of N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine?

N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine has a molecular weight of 708.95 g/mol, XLogP of 13.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine is sourced from PubChem (CID 139297492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).