1-(3-nitrophenyl)-9-phenylcarbazol-3-amine

C24H17N3O2 — CID 146318710

IUPAC1-(3-nitrophenyl)-9-phenylcarbazol-3-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C24H17N3O2/c25-17-14-21(16-7-6-10-19(13-16)27(28)29)24-22(15-17)20-11-4-5-12-23(20)26(24)18-8-2-1-3-9-18/h1-15H,25H2
InChIKeyIKEXXIUAKKFZSJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.94
Rot. Bonds3

About 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine

1-(3-nitrophenyl)-9-phenylcarbazol-3-amine (PubChem CID 146318710) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-9-phenylcarbazol-3-amine
PubChem CID146318710
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name1-(3-nitrophenyl)-9-phenylcarbazol-3-amine
SMILESNc1cc(-c2cccc([N+](=O)[O-])c2)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C24H17N3O2/c25-17-14-21(16-7-6-10-19(13-16)27(28)29)24-22(15-17)20-11-4-5-12-23(20)26(24)18-8-2-1-3-9-18/h1-15H,25H2
InChIKeyIKEXXIUAKKFZSJ-UHFFFAOYSA-N
XLogP5.94
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
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
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
5-nitro-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386080
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159714567
3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine (CID 146318710) is 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine is Nc1cc(-c2cccc([N+](=O)[O-])c2)c2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine?
The InChIKey is IKEXXIUAKKFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-17-14-21(16-7-6-10-19(13-16)27(28)29)24-22(15-17)20-11-4-5-12-23(20)26(24)18-8-2-1-3-9-18/h1-15H,25H2.
What are the key properties of 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine?
1-(3-nitrophenyl)-9-phenylcarbazol-3-amine has a molecular weight of 379.42 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 146318710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).