2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane

C40H38 — CID 144659778

IUPAC2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
SMILESC/C(=C\c1ccc(-c2ccc3ccccc3c2)cc1C)c1ccc(-c2cccc(C3=CC=CCC3)c2)cc1.CC
InChIInChI=1S/C38H32.C2H6/c1-27(23-33-20-22-37(24-28(33)2)38-21-19-31-11-6-7-12-34(31)26-38)29-15-17-32(18-16-29)36-14-8-13-35(25-36)30-9-4-3-5-10-30;1-2/h3-4,6-9,11-26H,5,10H2,1-2H3;1-2H3/b27-23+;
InChIKeyJZOJLUDOKIZMNY-VZXOMLSWSA-N
MW518.74 g/mol
LogP11.80
Rot. Bonds5

About 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane

2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane (PubChem CID 144659778) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
PubChem CID144659778
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Name2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane
SMILESC/C(=C\c1ccc(-c2ccc3ccccc3c2)cc1C)c1ccc(-c2cccc(C3=CC=CCC3)c2)cc1.CC
InChIInChI=1S/C38H32.C2H6/c1-27(23-33-20-22-37(24-28(33)2)38-21-19-31-11-6-7-12-34(31)26-38)29-15-17-32(18-16-29)36-14-8-13-35(25-36)30-9-4-3-5-10-30;1-2/h3-4,6-9,11-26H,5,10H2,1-2H3;1-2H3/b27-23+;
InChIKeyJZOJLUDOKIZMNY-VZXOMLSWSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 511.80
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

1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-cyclohexa-1,3-dien-1-yl-6-methylnaphthalene
CID 143516751
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
1-N-(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)-1-N,3-N-bis(2,5-dimethylphenyl)-3-N-(2-methyl-5-phenylphenyl)pyrene-1,3-diamine
CID 156558064
4-cyclohexa-1,3-dien-1-yl-1-methyl-2-[(1Z,3Z)-2-methylpenta-1,3-dienyl]benzene
CID 144984728
3-cyclohexa-1,3-dien-1-yl-N-[4-(18-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,11,14,16(21),17,19-nonaenyl)phenyl]-N-(4-phenylphenyl)aniline;ethane
CID 144960079
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170301983
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
2-[4-(4-iodophenyl)phenyl]-7-[4-[(E)-1-(2-iodophenyl)prop-1-en-2-yl]phenyl]naphthalene
CID 170291260
2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167007621
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane?
The IUPAC name of 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane (CID 144659778) is 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane.
What is the SMILES notation for 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane?
The canonical SMILES for 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane is C/C(=C\c1ccc(-c2ccc3ccccc3c2)cc1C)c1ccc(-c2cccc(C3=CC=CCC3)c2)cc1.CC.
What is the InChIKey of 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane?
The InChIKey is JZOJLUDOKIZMNY-VZXOMLSWSA-N. The full InChI is InChI=1S/C38H32.C2H6/c1-27(23-33-20-22-37(24-28(33)2)38-21-19-31-11-6-7-12-34(31)26-38)29-15-17-32(18-16-29)36-14-8-13-35(25-36)30-9-4-3-5-10-30;1-2/h3-4,6-9,11-26H,5,10H2,1-2H3;1-2H3/b27-23+;.
What are the key properties of 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane?
2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane has a molecular weight of 518.74 g/mol, XLogP of 11.80, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]prop-1-enyl]-3-methylphenyl]naphthalene;ethane is sourced from PubChem (CID 144659778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).