7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole

C31H19N3O2S — CID 142725745

IUPAC7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3nc(-c4ccccc4)sc3c1n2-c1ccccc1
InChIInChI=1S/C31H19N3O2S/c35-34(36)28-14-8-7-13-23(28)21-15-18-27-25(19-21)24-16-17-26-30(29(24)33(27)22-11-5-2-6-12-22)37-31(32-26)20-9-3-1-4-10-20/h1-19H
InChIKeyJSDNHNRHWAIKQV-UHFFFAOYSA-N
MW497.58 g/mol
LogP8.64
Rot. Bonds4

About 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole

7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 142725745) has the molecular formula C31H19N3O2S and a molecular weight of 497.58 g/mol. Its IUPAC name is 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

Compound Name7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
PubChem CID142725745
Molecular FormulaC31H19N3O2S
Molecular Weight497.58 g/mol
Exact Mass497.12
IUPAC Name7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3nc(-c4ccccc4)sc3c1n2-c1ccccc1
InChIInChI=1S/C31H19N3O2S/c35-34(36)28-14-8-7-13-23(28)21-15-18-27-25(19-21)24-16-17-26-30(29(24)33(27)22-11-5-2-6-12-22)37-31(32-26)20-9-3-1-4-10-20/h1-19H
InChIKeyJSDNHNRHWAIKQV-UHFFFAOYSA-N
XLogP8.64
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
CID 90257402
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
CID 144788222
10-(2,6-dipyridin-2-yl-4-pyridinyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
CID 149344361
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453330
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,12-diphenyl-[1]benzothiolo[2,3-a]carbazole
CID 163588004
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12H-indolo[3,2-c]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-nitrophenyl)carbazole
CID 165042546
7-[4-(4-naphthalen-2-ylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 166582930
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294709
10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
N-cyclohexa-1,5-dien-1-yl-4-[10-(3-dibenzothiophen-2-ylphenyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazol-7-yl]-N-phenylaniline
CID 144788295
7-phenyl-2-(11-phenylbenzo[a]carbazol-6-yl)-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167452853

Frequently Asked Questions

What is the IUPAC name of 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?
The IUPAC name of 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole (CID 142725745) is 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole.
What is the SMILES notation for 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?
The canonical SMILES for 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole is O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3nc(-c4ccccc4)sc3c1n2-c1ccccc1.
What is the InChIKey of 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?
The InChIKey is JSDNHNRHWAIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O2S/c35-34(36)28-14-8-7-13-23(28)21-15-18-27-25(19-21)24-16-17-26-30(29(24)33(27)22-11-5-2-6-12-22)37-31(32-26)20-9-3-1-4-10-20/h1-19H.
What are the key properties of 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole?
7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 497.58 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-nitrophenyl)-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 142725745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).