7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole

C24H15N3O2 — CID 56641148

IUPAC7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
SMILESO=[N+]([O-])c1ccc(-c2cc3[nH]c4ccccc4c3c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C24H15N3O2/c28-27(29)15-11-9-14(10-12-15)18-13-21-23(17-6-2-3-7-19(17)25-21)24-22(18)16-5-1-4-8-20(16)26-24/h1-13,25-26H
InChIKeyMGQMVTUJVMQFEF-UHFFFAOYSA-N
MW377.40 g/mol
LogP6.53
Rot. Bonds2

About 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole

7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole (PubChem CID 56641148) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
PubChem CID56641148
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
SMILESO=[N+]([O-])c1ccc(-c2cc3[nH]c4ccccc4c3c3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C24H15N3O2/c28-27(29)15-11-9-14(10-12-15)18-13-21-23(17-6-2-3-7-19(17)25-21)24-22(18)16-5-1-4-8-20(16)26-24/h1-13,25-26H
InChIKeyMGQMVTUJVMQFEF-UHFFFAOYSA-N
XLogP6.53
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 56.53
H-Bond Donors ≤ 52
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

3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-(2-nitrophenyl)-5,11-dihydroindolo[3,2-c]quinolin-6-one
CID 155699291
1-chloro-3-nitro-9H-carbazole
CID 155673987
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole
CID 139310183
(4-nitrophenyl) 9H-carbazole-4-carboxylate
CID 174494488
N-[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanesulfonamide
CID 169185930
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
2,3-bis(4-nitrophenyl)naphthalen-1-amine
CID 139604402
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124

Frequently Asked Questions

What is the IUPAC name of 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The IUPAC name of 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole (CID 56641148) is 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole.
What is the SMILES notation for 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The canonical SMILES for 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole is O=[N+]([O-])c1ccc(-c2cc3[nH]c4ccccc4c3c3[nH]c4ccccc4c23)cc1.
What is the InChIKey of 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole?
The InChIKey is MGQMVTUJVMQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c28-27(29)15-11-9-14(10-12-15)18-13-21-23(17-6-2-3-7-19(17)25-21)24-22(18)16-5-1-4-8-20(16)26-24/h1-13,25-26H.
What are the key properties of 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole?
7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole has a molecular weight of 377.40 g/mol, XLogP of 6.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole is sourced from PubChem (CID 56641148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).