10b,10c-dimethyl-2-(2-nitrophenyl)pyrene

C24H19NO2 — CID 10522012

IUPAC10b,10c-dimethyl-2-(2-nitrophenyl)pyrene
SMILESCC12C3=CC=CC1=CC=C1C=C(c4ccccc4[N+](=O)[O-])C=C(C=C3)C12C
InChIInChI=1S/C24H19NO2/c1-23-17-6-5-7-18(23)11-13-20-15-16(14-19(12-10-17)24(20,23)2)21-8-3-4-9-22(21)25(26)27/h3-15H,1-2H3
InChIKeyQDHPRYISXIZQFY-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.86
Rot. Bonds2

About 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene

10b,10c-dimethyl-2-(2-nitrophenyl)pyrene (PubChem CID 10522012) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene.

Molecular Properties

Compound Name10b,10c-dimethyl-2-(2-nitrophenyl)pyrene
PubChem CID10522012
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name10b,10c-dimethyl-2-(2-nitrophenyl)pyrene
SMILESCC12C3=CC=CC1=CC=C1C=C(c4ccccc4[N+](=O)[O-])C=C(C=C3)C12C
InChIInChI=1S/C24H19NO2/c1-23-17-6-5-7-18(23)11-13-20-15-16(14-19(12-10-17)24(20,23)2)21-8-3-4-9-22(21)25(26)27/h3-15H,1-2H3
InChIKeyQDHPRYISXIZQFY-UHFFFAOYSA-N
XLogP5.86
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
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'}

Analyze 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene?
The IUPAC name of 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene (CID 10522012) is 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene.
What is the SMILES notation for 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene?
The canonical SMILES for 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene is CC12C3=CC=CC1=CC=C1C=C(c4ccccc4[N+](=O)[O-])C=C(C=C3)C12C.
What is the InChIKey of 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene?
The InChIKey is QDHPRYISXIZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-23-17-6-5-7-18(23)11-13-20-15-16(14-19(12-10-17)24(20,23)2)21-8-3-4-9-22(21)25(26)27/h3-15H,1-2H3.
What are the key properties of 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene?
10b,10c-dimethyl-2-(2-nitrophenyl)pyrene has a molecular weight of 353.42 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b,10c-dimethyl-2-(2-nitrophenyl)pyrene is sourced from PubChem (CID 10522012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).