3-nitro-9-(4-nitrophenyl)carbazole

C18H11N3O4 — CID 23847398

IUPAC3-nitro-9-(4-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C18H11N3O4/c22-20(23)13-7-5-12(6-8-13)19-17-4-2-1-3-15(17)16-11-14(21(24)25)9-10-18(16)19/h1-11H
InChIKeyWNMWDJSLSXROSK-UHFFFAOYSA-N
MW333.30 g/mol
LogP4.60
Rot. Bonds3

About 3-nitro-9-(4-nitrophenyl)carbazole

3-nitro-9-(4-nitrophenyl)carbazole (PubChem CID 23847398) has the molecular formula C18H11N3O4 and a molecular weight of 333.30 g/mol. Its IUPAC name is 3-nitro-9-(4-nitrophenyl)carbazole.

Molecular Properties

Compound Name3-nitro-9-(4-nitrophenyl)carbazole
PubChem CID23847398
Molecular FormulaC18H11N3O4
Molecular Weight333.30 g/mol
Exact Mass333.07
IUPAC Name3-nitro-9-(4-nitrophenyl)carbazole
SMILESO=[N+]([O-])c1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C18H11N3O4/c22-20(23)13-7-5-12(6-8-13)19-17-4-2-1-3-15(17)16-11-14(21(24)25)9-10-18(16)19/h1-11H
InChIKeyWNMWDJSLSXROSK-UHFFFAOYSA-N
XLogP4.60
TPSA91.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.60
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

3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
CID 138505630
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
9-[3-[6-(4-nitrophenyl)-2-pyridinyl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole
CID 121276835
9-[3-[4,6-bis(4-nitrophenyl)pyrimidin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[3-[4,6-bis(4-nitrophenyl)-1,3,5-triazin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[4-[4,6-bis(4-nitrophenyl)-1,3,5-triazin-2-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole;9-[3-[6-(4-nitrophenyl)-2-pyridinyl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazole
CID 159643071
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 3-nitro-9-(4-nitrophenyl)carbazole?
The IUPAC name of 3-nitro-9-(4-nitrophenyl)carbazole (CID 23847398) is 3-nitro-9-(4-nitrophenyl)carbazole.
What is the SMILES notation for 3-nitro-9-(4-nitrophenyl)carbazole?
The canonical SMILES for 3-nitro-9-(4-nitrophenyl)carbazole is O=[N+]([O-])c1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1.
What is the InChIKey of 3-nitro-9-(4-nitrophenyl)carbazole?
The InChIKey is WNMWDJSLSXROSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4/c22-20(23)13-7-5-12(6-8-13)19-17-4-2-1-3-15(17)16-11-14(21(24)25)9-10-18(16)19/h1-11H.
What are the key properties of 3-nitro-9-(4-nitrophenyl)carbazole?
3-nitro-9-(4-nitrophenyl)carbazole has a molecular weight of 333.30 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9-(4-nitrophenyl)carbazole is sourced from PubChem (CID 23847398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).