N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

C64H42FN3 — CID 58161593

About N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine

N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (PubChem CID 58161593) has the molecular formula C64H42FN3 and a molecular weight of 872.06 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
• PubChem CID: 58161593
• Molecular Formula: C64H42FN3
• Molecular Weight: 872.06 g/mol
• Exact Mass: 871.34
• IUPAC Name: N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
• SMILES: Fc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccc4c(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7ccccc67)cc5)cccc4c32)cc1
• InChI: InChI=1S/C64H42FN3/c65-47-32-36-50(37-33-47)68-63(46-19-6-2-7-20-46)62(45-17-4-1-5-18-45)57-40-39-54-52(26-15-27-56(54)64(57)68)44-30-34-49(35-31-44)66(59-29-14-21-43-16-10-11-24-53(43)59)51-38-41-61-58(42-51)55-25-12-13-28-60(55)67(61)48-22-8-3-9-23-48/h1-42H
• InChIKey: LATYNZNBJKVLEF-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.06
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The IUPAC name of N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine (CID 58161593) is N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine.

What is the SMILES notation for N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The canonical SMILES for N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is Fc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccc4c(-c5ccc(N(c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6cccc7ccccc67)cc5)cccc4c32)cc1.

What is the InChIKey of N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

The InChIKey is LATYNZNBJKVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42FN3/c65-47-32-36-50(37-33-47)68-63(46-19-6-2-7-20-46)62(45-17-4-1-5-18-45)57-40-39-54-52(26-15-27-56(54)64(57)68)44-30-34-49(35-31-44)66(59-29-14-21-43-16-10-11-24-53(43)59)51-38-41-61-58(42-51)55-25-12-13-28-60(55)67(61)48-22-8-3-9-23-48/h1-42H.

What are the key properties of N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine?

N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine has a molecular weight of 872.06 g/mol, XLogP of 17.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-6-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 58161593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).