N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine

C46H30N2Se — CID 162103702

About N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine

N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine (PubChem CID 162103702) has the molecular formula C46H30N2Se and a molecular weight of 689.72 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine
• PubChem CID: 162103702
• Molecular Formula: C46H30N2Se
• Molecular Weight: 689.72 g/mol
• Exact Mass: 690.16
• IUPAC Name: N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)[se]c5ccccc56)c5cccc6ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C46H30N2Se/c1-2-13-34(14-3-1)48-43-18-8-6-16-38(43)39-27-23-33(29-44(39)48)31-21-24-35(25-22-31)47(42-19-10-12-32-11-4-5-15-37(32)42)36-26-28-41-40-17-7-9-20-45(40)49-46(41)30-36/h1-30H
• InChIKey: GBKJWXCPSSPHSJ-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.72
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine (CID 162103702) is N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6c(c5)[se]c5ccccc56)c5cccc6ccccc56)cc4)cc32)cc1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine?

The InChIKey is GBKJWXCPSSPHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2Se/c1-2-13-34(14-3-1)48-43-18-8-6-16-38(43)39-27-23-33(29-44(39)48)31-21-24-35(25-22-31)47(42-19-10-12-32-11-4-5-15-37(32)42)36-26-28-41-40-17-7-9-20-45(40)49-46(41)30-36/h1-30H.

What are the key properties of N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine?

N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine has a molecular weight of 689.72 g/mol, XLogP of 12.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzoselenophen-3-amine is sourced from PubChem (CID 162103702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).