2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene

C37H27NO2 — CID 132822368

IUPAC2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene
SMILESO=[N+]([O-])c1ccc(Cc2c(C=C(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C37H27NO2/c39-38(40)32-22-20-27(21-23-32)24-36-31(25-35(28-12-4-1-5-13-28)29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30)34-19-11-10-18-33(34)36/h1-23,25-26H,24H2
InChIKeyFIWQPUMZGAASDL-UHFFFAOYSA-N
MW517.63 g/mol
LogP9.59
Rot. Bonds7

About 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene

2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene (PubChem CID 132822368) has the molecular formula C37H27NO2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene
PubChem CID132822368
Molecular FormulaC37H27NO2
Molecular Weight517.63 g/mol
Exact Mass517.20
IUPAC Name2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene
SMILESO=[N+]([O-])c1ccc(Cc2c(C=C(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C37H27NO2/c39-38(40)32-22-20-27(21-23-32)24-36-31(25-35(28-12-4-1-5-13-28)29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30)34-19-11-10-18-33(34)36/h1-23,25-26H,24H2
InChIKeyFIWQPUMZGAASDL-UHFFFAOYSA-N
XLogP9.59
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 59.59
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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Related Compounds

4-(4-nitrophenyl)naphthalene-2-carboxylic acid
CID 174446453
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
CID 67496997
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
nitrobenzene;phenylmethanol
CID 160558550
5-[(4-nitrophenyl)methyl]benzene-1,3-dicarboxylic acid
CID 59058024
2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100524
5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole
CID 122207433
methyl 3-[(4-nitrophenyl)methyl]benzoate
CID 58869357
6-[(4-nitrophenyl)methyl]phenanthridine
CID 154722212
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
1-hydroxy-2-methyl-3-[(4-nitrophenyl)methyl]quinolin-4-one
CID 171484516

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene?
The IUPAC name of 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene (CID 132822368) is 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene?
The canonical SMILES for 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene is O=[N+]([O-])c1ccc(Cc2c(C=C(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene?
The InChIKey is FIWQPUMZGAASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO2/c39-38(40)32-22-20-27(21-23-32)24-36-31(25-35(28-12-4-1-5-13-28)29-14-6-2-7-15-29)26-37(30-16-8-3-9-17-30)34-19-11-10-18-33(34)36/h1-23,25-26H,24H2.
What are the key properties of 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene?
2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene has a molecular weight of 517.63 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-1-[(4-nitrophenyl)methyl]-4-phenylnaphthalene is sourced from PubChem (CID 132822368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).