N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine

C56H37N2OP — CID 121310702

About N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine

N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 121310702) has the molecular formula C56H37N2OP and a molecular weight of 784.90 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 121310702
• Molecular Formula: C56H37N2OP
• Molecular Weight: 784.90 g/mol
• Exact Mass: 784.26
• IUPAC Name: N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
• SMILES: O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C56H37N2OP/c59-60(48-16-2-1-3-17-48)54-21-11-9-18-49(54)50-34-35-53-55(56(50)60)51-19-8-10-20-52(51)58(53)45-30-24-41(25-31-45)40-22-28-44(29-23-40)57(46-32-26-38-12-4-6-14-42(38)36-46)47-33-27-39-13-5-7-15-43(39)37-47/h1-37H
• InChIKey: HLCQGEFNTIKQDT-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 25.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.90
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine?

The IUPAC name of N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine (CID 121310702) is N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine?

The InChIKey is HLCQGEFNTIKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N2OP/c59-60(48-16-2-1-3-17-48)54-21-11-9-18-49(54)50-34-35-53-55(56(50)60)51-19-8-10-20-52(51)58(53)45-30-24-41(25-31-45)40-22-28-44(29-23-40)57(46-32-26-38-12-4-6-14-42(38)36-46)47-33-27-39-13-5-7-15-43(39)37-47/h1-37H.

What are the key properties of N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine?

N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 784.90 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 121310702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).