4-chloro-2-nitro-1-phenyl-9H-carbazole

C18H11ClN2O2 — CID 150980162

IUPAC4-chloro-2-nitro-1-phenyl-9H-carbazole
SMILESO=[N+]([O-])c1cc(Cl)c2c([nH]c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11ClN2O2/c19-13-10-15(21(22)23)16(11-6-2-1-3-7-11)18-17(13)12-8-4-5-9-14(12)20-18/h1-10,20H
InChIKeyLPXUKBMDIYFBNU-UHFFFAOYSA-N
MW322.75 g/mol
LogP5.55
Rot. Bonds2

About 4-chloro-2-nitro-1-phenyl-9H-carbazole

4-chloro-2-nitro-1-phenyl-9H-carbazole (PubChem CID 150980162) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-chloro-2-nitro-1-phenyl-9H-carbazole.

Molecular Properties

Compound Name4-chloro-2-nitro-1-phenyl-9H-carbazole
PubChem CID150980162
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name4-chloro-2-nitro-1-phenyl-9H-carbazole
SMILESO=[N+]([O-])c1cc(Cl)c2c([nH]c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C18H11ClN2O2/c19-13-10-15(21(22)23)16(11-6-2-1-3-7-11)18-17(13)12-8-4-5-9-14(12)20-18/h1-10,20H
InChIKeyLPXUKBMDIYFBNU-UHFFFAOYSA-N
XLogP5.55
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.75
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate
CID 102111455
6,11-diphenyl-5H-benzo[b]carbazole
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1-chloro-3-nitro-9H-carbazole
CID 155673987
7-(2-chloro-6-nitrophenyl)-2,3-diphenyl-1H-indole
CID 156627187
4-nitro-2-phenyl-1H-indole
CID 14960157
9-nitro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21,23-tridecaene
CID 136722397
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
CID 155699291
1,2-dichloro-4-nitronaphthalene
CID 154116604
7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
CID 56641148
2-methyl-4-nitro-10H-acridin-9-one
CID 23198540
11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 122363290
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-1-phenyl-9H-carbazole?
The IUPAC name of 4-chloro-2-nitro-1-phenyl-9H-carbazole (CID 150980162) is 4-chloro-2-nitro-1-phenyl-9H-carbazole.
What is the SMILES notation for 4-chloro-2-nitro-1-phenyl-9H-carbazole?
The canonical SMILES for 4-chloro-2-nitro-1-phenyl-9H-carbazole is O=[N+]([O-])c1cc(Cl)c2c([nH]c3ccccc32)c1-c1ccccc1.
What is the InChIKey of 4-chloro-2-nitro-1-phenyl-9H-carbazole?
The InChIKey is LPXUKBMDIYFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-13-10-15(21(22)23)16(11-6-2-1-3-7-11)18-17(13)12-8-4-5-9-14(12)20-18/h1-10,20H.
What are the key properties of 4-chloro-2-nitro-1-phenyl-9H-carbazole?
4-chloro-2-nitro-1-phenyl-9H-carbazole has a molecular weight of 322.75 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitro-1-phenyl-9H-carbazole is sourced from PubChem (CID 150980162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).