2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene

C54H38N2O4 — CID 59100524

IUPAC2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(C(=Cc2ccc(C=Cc3cc4ccccc4cc3C=Cc3ccc(C=C(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C54H38N2O4/c57-55(58)51-31-27-45(28-32-51)53(43-9-3-1-4-10-43)35-41-19-15-39(16-20-41)23-25-49-37-47-13-7-8-14-48(47)38-50(49)26-24-40-17-21-42(22-18-40)36-54(44-11-5-2-6-12-44)46-29-33-52(34-30-46)56(59)60/h1-38H
InChIKeyPQIDGFTXVJNZPL-UHFFFAOYSA-N
MW778.91 g/mol
LogP14.17
Rot. Bonds12

About 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene

2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene (PubChem CID 59100524) has the molecular formula C54H38N2O4 and a molecular weight of 778.91 g/mol. Its IUPAC name is 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
PubChem CID59100524
Molecular FormulaC54H38N2O4
Molecular Weight778.91 g/mol
Exact Mass778.28
IUPAC Name2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
SMILESO=[N+]([O-])c1ccc(C(=Cc2ccc(C=Cc3cc4ccccc4cc3C=Cc3ccc(C=C(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C54H38N2O4/c57-55(58)51-31-27-45(28-32-51)53(43-9-3-1-4-10-43)35-41-19-15-39(16-20-41)23-25-49-37-47-13-7-8-14-48(47)38-50(49)26-24-40-17-21-42(22-18-40)36-54(44-11-5-2-6-12-44)46-29-33-52(34-30-46)56(59)60/h1-38H
InChIKeyPQIDGFTXVJNZPL-UHFFFAOYSA-N
XLogP14.17
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.91
LogP ≤ 514.17
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene with MolForge

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

Launch Full Analysis

Related Compounds

1,8-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100515
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
CID 67496997
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
4,4,5,5-tetramethyl-2-[4-[2-(4-nitrophenyl)-1-phenylethenyl]phenyl]-1,3,2-dioxaborolane
CID 67497421
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
(E)-2-methyl-1-naphthalen-2-yl-3-(4-nitrophenyl)prop-2-en-1-one
CID 46867974
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 21365156
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene (CID 59100524) is 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene is O=[N+]([O-])c1ccc(C(=Cc2ccc(C=Cc3cc4ccccc4cc3C=Cc3ccc(C=C(c4ccccc4)c4ccc([N+](=O)[O-])cc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is PQIDGFTXVJNZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O4/c57-55(58)51-31-27-45(28-32-51)53(43-9-3-1-4-10-43)35-41-19-15-39(16-20-41)23-25-49-37-47-13-7-8-14-48(47)38-50(49)26-24-40-17-21-42(22-18-40)36-54(44-11-5-2-6-12-44)46-29-33-52(34-30-46)56(59)60/h1-38H.
What are the key properties of 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 778.91 g/mol, XLogP of 14.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 59100524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).