2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole

C37H32N4O2 — CID 158863407

IUPAC2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole
SMILESC.Nc1ccccc1-n1c2ccccc2c2ccccc21.O=[N+]([O-])c1ccccc1-n1c2ccccc2c2ccccc21.[H][2H]
InChIInChI=1S/C18H12N2O2.C18H14N2.CH4.H2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20;;/h1-12H;1-12H,19H2;1H4;1H/i;;;1+1
InChIKeyJAXTWEVEECJFJV-SGNQUONSSA-N
MW565.70 g/mol
LogP9.94
Rot. Bonds3

About 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole

2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole (PubChem CID 158863407) has the molecular formula C37H32N4O2 and a molecular weight of 565.70 g/mol. Its IUPAC name is 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole.

Molecular Properties

Compound Name2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole
PubChem CID158863407
Molecular FormulaC37H32N4O2
Molecular Weight565.70 g/mol
Exact Mass565.26
IUPAC Name2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole
SMILESC.Nc1ccccc1-n1c2ccccc2c2ccccc21.O=[N+]([O-])c1ccccc1-n1c2ccccc2c2ccccc21.[H][2H]
InChIInChI=1S/C18H12N2O2.C18H14N2.CH4.H2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20;;/h1-12H;1-12H,19H2;1H4;1H/i;;;1+1
InChIKeyJAXTWEVEECJFJV-SGNQUONSSA-N
XLogP9.94
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.70
LogP ≤ 59.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4-carbazol-9-yl-3-nitrophenyl)boronic acid
CID 140776277
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
4,5-di(carbazol-9-yl)-2-nitrobenzonitrile
CID 134217290
2-nitroaniline;sulfane
CID 175331446
2-nitroaniline;dihydrochloride
CID 69408891
6-(2-aminophenyl)-8-bromo-[1]benzofuro[3,2-c]isoquinolin-5-one;8-bromo-6-(2-nitrophenyl)-[1]benzofuro[3,2-c]isoquinolin-5-one
CID 157268687
4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-nitrophenyl]carbazole
CID 145376051
acetylene;2-nitroaniline
CID 142135116
9-(5-carbazol-9-yl-2,4-dinitrophenyl)-4-[9-(5-carbazol-9-yl-2,4-dinitrophenyl)carbazol-4-yl]carbazole
CID 140923114
1-fluoro-3-nitroindole
CID 151458918
1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
CID 150782131
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole?
The IUPAC name of 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole (CID 158863407) is 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole.
What is the SMILES notation for 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole?
The canonical SMILES for 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole is C.Nc1ccccc1-n1c2ccccc2c2ccccc21.O=[N+]([O-])c1ccccc1-n1c2ccccc2c2ccccc21.[H][2H].
What is the InChIKey of 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole?
The InChIKey is JAXTWEVEECJFJV-SGNQUONSSA-N. The full InChI is InChI=1S/C18H12N2O2.C18H14N2.CH4.H2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20;;/h1-12H;1-12H,19H2;1H4;1H/i;;;1+1.
What are the key properties of 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole?
2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole has a molecular weight of 565.70 g/mol, XLogP of 9.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole is sourced from PubChem (CID 158863407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).