7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene

C23H19NO2 — CID 129122010

IUPAC7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19NO2/c1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(12-9-18)24(25)26/h2-9,11-13,15H,10,14H2,1H3
InChIKeyKGXIAJRJOXSFOS-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.81
Rot. Bonds3

About 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene

7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene (PubChem CID 129122010) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene
PubChem CID129122010
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene
SMILESCc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H19NO2/c1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(12-9-18)24(25)26/h2-9,11-13,15H,10,14H2,1H3
InChIKeyKGXIAJRJOXSFOS-UHFFFAOYSA-N
XLogP5.81
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.81
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene?
The IUPAC name of 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene (CID 129122010) is 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene is Cc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene?
The InChIKey is KGXIAJRJOXSFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-16-7-13-22-19(15-16)10-14-21(17-5-3-2-4-6-17)23(22)18-8-11-20(12-9-18)24(25)26/h2-9,11-13,15H,10,14H2,1H3.
What are the key properties of 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene?
7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene has a molecular weight of 341.41 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-nitrophenyl)-3-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 129122010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).