2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene

C42H34 — CID 134888133

IUPAC2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
SMILESC/C=C\c1cc(/C=C\C)cc(-c2cc(/C=C\c3ccc4ccccc4c3)cc(/C=C\c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C42H34/c1-3-9-33-23-34(10-4-2)28-41(27-33)42-29-35(17-15-31-19-21-37-11-5-7-13-39(37)25-31)24-36(30-42)18-16-32-20-22-38-12-6-8-14-40(38)26-32/h3-30H,1-2H3/b9-3-,10-4-,17-15-,18-16-
InChIKeyJWWMVMNDJDNWNA-VQFBOQMZSA-N
MW538.73 g/mol
LogP12.07
Rot. Bonds7

About 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene

2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene (PubChem CID 134888133) has the molecular formula C42H34 and a molecular weight of 538.73 g/mol. Its IUPAC name is 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
PubChem CID134888133
Molecular FormulaC42H34
Molecular Weight538.73 g/mol
Exact Mass538.27
IUPAC Name2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
SMILESC/C=C\c1cc(/C=C\C)cc(-c2cc(/C=C\c3ccc4ccccc4c3)cc(/C=C\c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C42H34/c1-3-9-33-23-34(10-4-2)28-41(27-33)42-29-35(17-15-31-19-21-37-11-5-7-13-39(37)25-31)24-36(30-42)18-16-32-20-22-38-12-6-8-14-40(38)26-32/h3-30H,1-2H3/b9-3-,10-4-,17-15-,18-16-
InChIKeyJWWMVMNDJDNWNA-VQFBOQMZSA-N
XLogP12.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 512.07
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

2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
naphthalen-2-yl-[4-[(E)-prop-1-enyl]phenyl]diazene
CID 58979901
2-naphthalen-2-ylethenol
CID 67195423
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
CID 59156066
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
naphthalen-2-yl-[6-[2-[6-(naphthalen-2-yldiazenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]diazene
CID 72565674

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene (CID 134888133) is 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene is C/C=C\c1cc(/C=C\C)cc(-c2cc(/C=C\c3ccc4ccccc4c3)cc(/C=C\c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is JWWMVMNDJDNWNA-VQFBOQMZSA-N. The full InChI is InChI=1S/C42H34/c1-3-9-33-23-34(10-4-2)28-41(27-33)42-29-35(17-15-31-19-21-37-11-5-7-13-39(37)25-31)24-36(30-42)18-16-32-20-22-38-12-6-8-14-40(38)26-32/h3-30H,1-2H3/b9-3-,10-4-,17-15-,18-16-.
What are the key properties of 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene?
2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 538.73 g/mol, XLogP of 12.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-[3,5-bis[(Z)-prop-1-enyl]phenyl]-5-[(Z)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 134888133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).