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

C30H20ClN3 — CID 139393614

IUPAC3,5-di(carbazol-9-yl)-N-chloroaniline
SMILESClNc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=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
InChIKeySVXYJLZSJVJVFN-UHFFFAOYSA-N
MW457.96 g/mol
LogP8.45
Rot. Bonds3

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 Name3,5-di(carbazol-9-yl)-N-chloroaniline
PubChem CID139393614
Molecular FormulaC30H20ClN3
Molecular Weight457.96 g/mol
Exact Mass457.13
IUPAC Name3,5-di(carbazol-9-yl)-N-chloroaniline
SMILESClNc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=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
InChIKeySVXYJLZSJVJVFN-UHFFFAOYSA-N
XLogP8.45
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
CID 158760792
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3,5-di(carbazol-9-yl)-N-methylbenzamide
CID 90292857
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106

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).