1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene

C35H36 — CID 146834185

IUPAC1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene
SMILESCC(C)(C)C(Cc1cccc(/C=C/c2ccccc2)c1)Cc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C35H36/c1-35(2,3)34(26-32-18-10-16-30(24-32)22-20-28-12-6-4-7-13-28)27-33-19-11-17-31(25-33)23-21-29-14-8-5-9-15-29/h4-25,34H,26-27H2,1-3H3/b22-20+,23-21+
InChIKeySEUGJXCQDCSALZ-DQPVQCHKSA-N
MW456.67 g/mol
LogP9.47
Rot. Bonds8

About 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene

1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene (PubChem CID 146834185) has the molecular formula C35H36 and a molecular weight of 456.67 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene
PubChem CID146834185
Molecular FormulaC35H36
Molecular Weight456.67 g/mol
Exact Mass456.28
IUPAC Name1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene
SMILESCC(C)(C)C(Cc1cccc(/C=C/c2ccccc2)c1)Cc1cccc(/C=C/c2ccccc2)c1
InChIInChI=1S/C35H36/c1-35(2,3)34(26-32-18-10-16-30(24-32)22-20-28-12-6-4-7-13-28)27-33-19-11-17-31(25-33)23-21-29-14-8-5-9-15-29/h4-25,34H,26-27H2,1-3H3/b22-20+,23-21+
InChIKeySEUGJXCQDCSALZ-DQPVQCHKSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 59.47
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-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene (CID 146834185) is 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene is CC(C)(C)C(Cc1cccc(/C=C/c2ccccc2)c1)Cc1cccc(/C=C/c2ccccc2)c1.
What is the InChIKey of 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene?
The InChIKey is SEUGJXCQDCSALZ-DQPVQCHKSA-N. The full InChI is InChI=1S/C35H36/c1-35(2,3)34(26-32-18-10-16-30(24-32)22-20-28-12-6-4-7-13-28)27-33-19-11-17-31(25-33)23-21-29-14-8-5-9-15-29/h4-25,34H,26-27H2,1-3H3/b22-20+,23-21+.
What are the key properties of 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene?
1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene has a molecular weight of 456.67 g/mol, XLogP of 9.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]butyl]-3-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 146834185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).