7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine

C₃₆H₂₂N₄ — CID 153462466

About 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine

7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine (PubChem CID 153462466) has the molecular formula C₃₆H₂₂N₄ and a molecular weight of 510.60 g/mol. Its IUPAC name is 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine.

Molecular Properties

• Compound Name: 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
• PubChem CID: 153462466
• Molecular Formula: C₃₆H₂₂N₄
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.18
• IUPAC Name: 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine
• SMILES: [C-]#[N+]c1cc([N+]#[C-])cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1
• InChI: InChI=1S/C36H22N4/c1-37-26-21-27(38-2)23-31(22-26)40-34-20-18-30(39(28-12-5-3-6-13-28)29-14-7-4-8-15-29)24-33(34)36-32-16-10-9-11-25(32)17-19-35(36)40/h3-24H
• InChIKey: XTRPDVSBEZVELG-UHFFFAOYSA-N
• XLogP: 10.51
• TPSA: 16.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	10.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?

The IUPAC name of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine (CID 153462466) is 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine.

What is the SMILES notation for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?

The canonical SMILES for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine is [C-]#[N+]c1cc([N+]#[C-])cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)c1.

What is the InChIKey of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?

The InChIKey is XTRPDVSBEZVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-37-26-21-27(38-2)23-31(22-26)40-34-20-18-30(39(28-12-5-3-6-13-28)29-14-7-4-8-15-29)24-33(34)36-32-16-10-9-11-25(32)17-19-35(36)40/h3-24H.

What are the key properties of 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine?

7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine has a molecular weight of 510.60 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-diisocyanophenyl)-N,N-diphenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 153462466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153462466 — identifiers, structure, computed properties (public domain)

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