7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

C32H21N3O2 — CID 90257402

IUPAC7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C32H21N3O2/c36-35(37)31-14-8-7-13-25(31)22-15-17-30-28(21-22)26-16-18-29-27(19-20-33(29)23-9-3-1-4-10-23)32(26)34(30)24-11-5-2-6-12-24/h1-21H
InChIKeyQHDVQKWMGOMXDM-UHFFFAOYSA-N
MW479.54 g/mol
LogP8.30
Rot. Bonds4

About 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 90257402) has the molecular formula C32H21N3O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
PubChem CID90257402
Molecular FormulaC32H21N3O2
Molecular Weight479.54 g/mol
Exact Mass479.16
IUPAC Name7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESO=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1
InChIInChI=1S/C32H21N3O2/c36-35(37)31-14-8-7-13-25(31)22-15-17-30-28(21-22)26-16-18-29-27(19-20-33(29)23-9-3-1-4-10-23)32(26)34(30)24-11-5-2-6-12-24/h1-21H
InChIKeyQHDVQKWMGOMXDM-UHFFFAOYSA-N
XLogP8.30
TPSA53.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (CID 90257402) is 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is O=[N+]([O-])c1ccccc1-c1ccc2c(c1)c1ccc3c(ccn3-c3ccccc3)c1n2-c1ccccc1.
What is the InChIKey of 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is QHDVQKWMGOMXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O2/c36-35(37)31-14-8-7-13-25(31)22-15-17-30-28(21-22)26-16-18-29-27(19-20-33(29)23-9-3-1-4-10-23)32(26)34(30)24-11-5-2-6-12-24/h1-21H.
What are the key properties of 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 479.54 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-nitrophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90257402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).