3,5-di(carbazol-9-yl)-N-chloroaniline

C₃₀H₂₀ClN₃ — CID 139393614

About 3,5-di(carbazol-9-yl)-N-chloroaniline

3,5-di(carbazol-9-yl)-N-chloroaniline (PubChem CID 139393614) has the molecular formula C₃₀H₂₀ClN₃ and a molecular weight of 457.96 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)-N-chloroaniline.

Molecular Properties

• Compound Name: 3,5-di(carbazol-9-yl)-N-chloroaniline
• PubChem CID: 139393614
• Molecular Formula: C₃₀H₂₀ClN₃
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.13
• IUPAC Name: 3,5-di(carbazol-9-yl)-N-chloroaniline
• SMILES: ClNc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C30H20ClN3/c31-32-20-17-21(33-27-13-5-1-9-23(27)24-10-2-6-14-28(24)33)19-22(18-20)34-29-15-7-3-11-25(29)26-12-4-8-16-30(26)34/h1-19,32H
• InChIKey: SVXYJLZSJVJVFN-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 21.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)-N-chloroaniline?

The IUPAC name of 3,5-di(carbazol-9-yl)-N-chloroaniline (CID 139393614) is 3,5-di(carbazol-9-yl)-N-chloroaniline.

What is the SMILES notation for 3,5-di(carbazol-9-yl)-N-chloroaniline?

The canonical SMILES for 3,5-di(carbazol-9-yl)-N-chloroaniline is ClNc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 3,5-di(carbazol-9-yl)-N-chloroaniline?

The InChIKey is SVXYJLZSJVJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClN3/c31-32-20-17-21(33-27-13-5-1-9-23(27)24-10-2-6-14-28(24)33)19-22(18-20)34-29-15-7-3-11-25(29)26-12-4-8-16-30(26)34/h1-19,32H.

What are the key properties of 3,5-di(carbazol-9-yl)-N-chloroaniline?

3,5-di(carbazol-9-yl)-N-chloroaniline has a molecular weight of 457.96 g/mol, XLogP of 8.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-di(carbazol-9-yl)-N-chloroaniline is sourced from PubChem (CID 139393614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139393614 — identifiers, structure, computed properties (public domain)

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