1-(2-chloro-4-pyridinyl)-9-phenylcarbazole

C23H15ClN2 — CID 166873506

IUPAC1-(2-chloro-4-pyridinyl)-9-phenylcarbazole
SMILESClc1cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)ccn1
InChIInChI=1S/C23H15ClN2/c24-22-15-16(13-14-25-22)18-10-6-11-20-19-9-4-5-12-21(19)26(23(18)20)17-7-2-1-3-8-17/h1-15H
InChIKeyURWLLRAKLVBMKV-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.50
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole

1-(2-chloro-4-pyridinyl)-9-phenylcarbazole (PubChem CID 166873506) has the molecular formula C23H15ClN2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-9-phenylcarbazole
PubChem CID166873506
Molecular FormulaC23H15ClN2
Molecular Weight354.84 g/mol
Exact Mass354.09
IUPAC Name1-(2-chloro-4-pyridinyl)-9-phenylcarbazole
SMILESClc1cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)ccn1
InChIInChI=1S/C23H15ClN2/c24-22-15-16(13-14-25-22)18-10-6-11-20-19-9-4-5-12-21(19)26(23(18)20)17-7-2-1-3-8-17/h1-15H
InChIKeyURWLLRAKLVBMKV-UHFFFAOYSA-N
XLogP6.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
5-phenyl-4-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221355
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole (CID 166873506) is 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole is Clc1cc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)ccn1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole?
The InChIKey is URWLLRAKLVBMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2/c24-22-15-16(13-14-25-22)18-10-6-11-20-19-9-4-5-12-21(19)26(23(18)20)17-7-2-1-3-8-17/h1-15H.
What are the key properties of 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole?
1-(2-chloro-4-pyridinyl)-9-phenylcarbazole has a molecular weight of 354.84 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 166873506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).