1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene

C29H32 — CID 14425582

IUPAC1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H32/c1-21(19-22-11-13-24(14-12-22)23-9-7-6-8-10-23)25-15-16-26-27(20-25)29(4,5)18-17-28(26,2)3/h6-16,19-20H,17-18H2,1-5H3/b21-19+
InChIKeyGYFMFFUGHGQSIH-XUTLUUPISA-N
MW380.58 g/mol
LogP8.26
Rot. Bonds3

About 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene (PubChem CID 14425582) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
PubChem CID14425582
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
SMILESC/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C29H32/c1-21(19-22-11-13-24(14-12-22)23-9-7-6-8-10-23)25-15-16-26-27(20-25)29(4,5)18-17-28(26,2)3/h6-16,19-20H,17-18H2,1-5H3/b21-19+
InChIKeyGYFMFFUGHGQSIH-XUTLUUPISA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene (CID 14425582) is 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene is C/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
The InChIKey is GYFMFFUGHGQSIH-XUTLUUPISA-N. The full InChI is InChI=1S/C29H32/c1-21(19-22-11-13-24(14-12-22)23-9-7-6-8-10-23)25-15-16-26-27(20-25)29(4,5)18-17-28(26,2)3/h6-16,19-20H,17-18H2,1-5H3/b21-19+.
What are the key properties of 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene has a molecular weight of 380.58 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene is sourced from PubChem (CID 14425582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).