3,6-bis(2-nitrophenyl)-9H-carbazole

C24H15N3O4 — CID 129277402

IUPAC3,6-bis(2-nitrophenyl)-9H-carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3ccc(-c4ccccc4[N+](=O)[O-])cc3c2c1
InChIInChI=1S/C24H15N3O4/c28-26(29)23-7-3-1-5-17(23)15-9-11-21-19(13-15)20-14-16(10-12-22(20)25-21)18-6-2-4-8-24(18)27(30)31/h1-14,25H
InChIKeyZNOVPBUGCLLPEH-UHFFFAOYSA-N
MW409.40 g/mol
LogP6.47
Rot. Bonds4

About 3,6-bis(2-nitrophenyl)-9H-carbazole

3,6-bis(2-nitrophenyl)-9H-carbazole (PubChem CID 129277402) has the molecular formula C24H15N3O4 and a molecular weight of 409.40 g/mol. Its IUPAC name is 3,6-bis(2-nitrophenyl)-9H-carbazole.

Molecular Properties

Compound Name3,6-bis(2-nitrophenyl)-9H-carbazole
PubChem CID129277402
Molecular FormulaC24H15N3O4
Molecular Weight409.40 g/mol
Exact Mass409.11
IUPAC Name3,6-bis(2-nitrophenyl)-9H-carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2[nH]c3ccc(-c4ccccc4[N+](=O)[O-])cc3c2c1
InChIInChI=1S/C24H15N3O4/c28-26(29)23-7-3-1-5-17(23)15-9-11-21-19(13-15)20-14-16(10-12-22(20)25-21)18-6-2-4-8-24(18)27(30)31/h1-14,25H
InChIKeyZNOVPBUGCLLPEH-UHFFFAOYSA-N
XLogP6.47
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.40
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 87140987
4,6-bis(2-nitrophenyl)-9H-pyrido[2,3-b]indole
CID 87140592
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
CID 155699291
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
18-(2-nitrophenyl)-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 118326895
9,9-dimethyl-3-(2-nitrophenyl)fluorene
CID 134530448
2-bromo-8-(2-nitrophenyl)-1-phenyldibenzothiophene
CID 118909204
3-(2-nitrophenyl)-2-phenyl-1H-indole-5-carbonitrile
CID 102257074
6-(2-nitrophenyl)-1-phenylindole;1-phenyl-10H-pyrrolo[2,3-a]carbazole;3-phenyl-9H-pyrrolo[3,2-b]carbazole
CID 159920528

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-nitrophenyl)-9H-carbazole?
The IUPAC name of 3,6-bis(2-nitrophenyl)-9H-carbazole (CID 129277402) is 3,6-bis(2-nitrophenyl)-9H-carbazole.
What is the SMILES notation for 3,6-bis(2-nitrophenyl)-9H-carbazole?
The canonical SMILES for 3,6-bis(2-nitrophenyl)-9H-carbazole is O=[N+]([O-])c1ccccc1-c1ccc2[nH]c3ccc(-c4ccccc4[N+](=O)[O-])cc3c2c1.
What is the InChIKey of 3,6-bis(2-nitrophenyl)-9H-carbazole?
The InChIKey is ZNOVPBUGCLLPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O4/c28-26(29)23-7-3-1-5-17(23)15-9-11-21-19(13-15)20-14-16(10-12-22(20)25-21)18-6-2-4-8-24(18)27(30)31/h1-14,25H.
What are the key properties of 3,6-bis(2-nitrophenyl)-9H-carbazole?
3,6-bis(2-nitrophenyl)-9H-carbazole has a molecular weight of 409.40 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-nitrophenyl)-9H-carbazole is sourced from PubChem (CID 129277402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).