1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene

C56H44 — CID 59100433

IUPAC1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
SMILESCc1ccccc1C(=Cc1ccc(C=Cc2ccc3ccccc3c2C=Cc2ccc(C=C(c3ccccc3)c3ccccc3C)cc2)cc1)c1ccccc1
InChIInChI=1S/C56H44/c1-41-15-9-12-22-51(41)55(47-17-5-3-6-18-47)39-45-29-25-43(26-30-45)33-35-50-37-36-49-21-11-14-24-53(49)54(50)38-34-44-27-31-46(32-28-44)40-56(48-19-7-4-8-20-48)52-23-13-10-16-42(52)2/h3-40H,1-2H3
InChIKeyPYPSFTCVCUKNHU-UHFFFAOYSA-N
MW716.97 g/mol
LogP14.98
Rot. Bonds10

About 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene

1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene (PubChem CID 59100433) has the molecular formula C56H44 and a molecular weight of 716.97 g/mol. Its IUPAC name is 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
PubChem CID59100433
Molecular FormulaC56H44
Molecular Weight716.97 g/mol
Exact Mass716.34
IUPAC Name1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
SMILESCc1ccccc1C(=Cc1ccc(C=Cc2ccc3ccccc3c2C=Cc2ccc(C=C(c3ccccc3)c3ccccc3C)cc2)cc1)c1ccccc1
InChIInChI=1S/C56H44/c1-41-15-9-12-22-51(41)55(47-17-5-3-6-18-47)39-45-29-25-43(26-30-45)33-35-50-37-36-49-21-11-14-24-53(49)54(50)38-34-44-27-31-46(32-28-44)40-56(48-19-7-4-8-20-48)52-23-13-10-16-42(52)2/h3-40H,1-2H3
InChIKeyPYPSFTCVCUKNHU-UHFFFAOYSA-N
XLogP14.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.97
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 67900431
CID 67900431
1,2-bis[(Z)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-4-(2-methylphenyl)naphthalene
CID 163509385
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene
CID 159106915
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
CID 20678110
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-[(Z)-2-(4-bromophenyl)-1-phenylethenyl]naphthalene
CID 144810159
N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
CID 131974098
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
CID 159841583

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene (CID 59100433) is 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene is Cc1ccccc1C(=Cc1ccc(C=Cc2ccc3ccccc3c2C=Cc2ccc(C=C(c3ccccc3)c3ccccc3C)cc2)cc1)c1ccccc1.
What is the InChIKey of 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is PYPSFTCVCUKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44/c1-41-15-9-12-22-51(41)55(47-17-5-3-6-18-47)39-45-29-25-43(26-30-45)33-35-50-37-36-49-21-11-14-24-53(49)54(50)38-34-44-27-31-46(32-28-44)40-56(48-19-7-4-8-20-48)52-23-13-10-16-42(52)2/h3-40H,1-2H3.
What are the key properties of 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene?
1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 716.97 g/mol, XLogP of 14.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-[4-[2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 59100433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).