1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene

C27H21NO2 — CID 135029071

IUPAC1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene
SMILESO=[N+]([O-])c1cccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C27H21NO2/c29-28(30)23-15-9-10-20(18-23)25-19-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-17-8-7-16-24(25)26/h1-18,25H,19H2
InChIKeyXPMMZHHZFIRBES-UHFFFAOYSA-N
MW391.47 g/mol
LogP6.46
Rot. Bonds4

About 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene

1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene (PubChem CID 135029071) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene
PubChem CID135029071
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene
SMILESO=[N+]([O-])c1cccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C27H21NO2/c29-28(30)23-15-9-10-20(18-23)25-19-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-17-8-7-16-24(25)26/h1-18,25H,19H2
InChIKeyXPMMZHHZFIRBES-UHFFFAOYSA-N
XLogP6.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.46
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'}

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Related Compounds

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CID 15440931
1-[(1R,2S)-2-methyl-2-(4-methylphenyl)cyclopropyl]-3-nitrobenzene
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CID 3527771
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CID 142001294
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CID 66228283
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
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CID 100951360
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-(3-nitrophenyl)-4-[9-[3-(3-nitrophenyl)-5-phenyl-2,3-dihydro-1H-pyrazol-4-yl]fluoren-9-yl]-5-phenyl-2,3-dihydro-1H-pyrazole
CID 100924951

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene?
The IUPAC name of 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene (CID 135029071) is 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene.
What is the SMILES notation for 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene?
The canonical SMILES for 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene is O=[N+]([O-])c1cccc(C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene?
The InChIKey is XPMMZHHZFIRBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO2/c29-28(30)23-15-9-10-20(18-23)25-19-27(21-11-3-1-4-12-21,22-13-5-2-6-14-22)26-17-8-7-16-24(25)26/h1-18,25H,19H2.
What are the key properties of 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene?
1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene has a molecular weight of 391.47 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3,3-diphenyl-1,2-dihydroindene is sourced from PubChem (CID 135029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).