9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

C50H35F2N3 — CID 59760482

About 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 59760482) has the molecular formula C50H35F2N3 and a molecular weight of 715.85 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 59760482
• Molecular Formula: C50H35F2N3
• Molecular Weight: 715.85 g/mol
• Exact Mass: 715.28
• IUPAC Name: 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: Fc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)cc4)ccc32)cc1
• InChI: InChI=1S/C50H35F2N3/c51-38-20-14-34(15-21-38)32-53-47-12-6-4-10-43(47)45-30-41(26-28-49(45)53)55(40-24-18-37(19-25-40)36-8-2-1-3-9-36)42-27-29-50-46(31-42)44-11-5-7-13-48(44)54(50)33-35-16-22-39(52)23-17-35/h1-31H,32-33H2
• InChIKey: FPLIERYIOHURNW-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.85
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (CID 59760482) is 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is Fc1ccc(Cn2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5Cc4ccc(F)cc4)ccc32)cc1.

What is the InChIKey of 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is FPLIERYIOHURNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35F2N3/c51-38-20-14-34(15-21-38)32-53-47-12-6-4-10-43(47)45-30-41(26-28-49(45)53)55(40-24-18-37(19-25-40)36-8-2-1-3-9-36)42-27-29-50-46(31-42)44-11-5-7-13-48(44)54(50)33-35-16-22-39(52)23-17-35/h1-31H,32-33H2.

What are the key properties of 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 715.85 g/mol, XLogP of 13.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 59760482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).