9-[1-(4-nitrophenyl)ethenyl]carbazole

C20H14N2O2 — CID 91555488

IUPAC9-[1-(4-nitrophenyl)ethenyl]carbazole
SMILESC=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H14N2O2/c1-14(15-10-12-16(13-11-15)22(23)24)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13H,1H2
InChIKeyDFFCZOPPQJQNDV-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.22
Rot. Bonds3

About 9-[1-(4-nitrophenyl)ethenyl]carbazole

9-[1-(4-nitrophenyl)ethenyl]carbazole (PubChem CID 91555488) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 9-[1-(4-nitrophenyl)ethenyl]carbazole.

Molecular Properties

Compound Name9-[1-(4-nitrophenyl)ethenyl]carbazole
PubChem CID91555488
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name9-[1-(4-nitrophenyl)ethenyl]carbazole
SMILESC=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C20H14N2O2/c1-14(15-10-12-16(13-11-15)22(23)24)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13H,1H2
InChIKeyDFFCZOPPQJQNDV-UHFFFAOYSA-N
XLogP5.22
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-methyl-1-(4-nitrobenzoyl)indol-3-yl]acetic acid
CID 23092919
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
1-(4-nitrophenyl)ethenethiol
CID 175251308
1-(1-fluoroethenyl)-4-nitrobenzene
CID 11205987
1-(4-nitrobenzoyl)indazole-3-carboxylic acid
CID 152737808
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
CID 10030781
2-[3-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]isoindole-1,3-dione
CID 71372646
2-methyl-1-[2-(4-nitrophenyl)acetyl]indole-3-carboxylic acid
CID 91690300

Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-nitrophenyl)ethenyl]carbazole?
The IUPAC name of 9-[1-(4-nitrophenyl)ethenyl]carbazole (CID 91555488) is 9-[1-(4-nitrophenyl)ethenyl]carbazole.
What is the SMILES notation for 9-[1-(4-nitrophenyl)ethenyl]carbazole?
The canonical SMILES for 9-[1-(4-nitrophenyl)ethenyl]carbazole is C=C(c1ccc([N+](=O)[O-])cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[1-(4-nitrophenyl)ethenyl]carbazole?
The InChIKey is DFFCZOPPQJQNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c1-14(15-10-12-16(13-11-15)22(23)24)21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13H,1H2.
What are the key properties of 9-[1-(4-nitrophenyl)ethenyl]carbazole?
9-[1-(4-nitrophenyl)ethenyl]carbazole has a molecular weight of 314.34 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-nitrophenyl)ethenyl]carbazole is sourced from PubChem (CID 91555488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).