1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene

C30H44 — CID 4625492

IUPAC1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1cc(C=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H44/c1-27(2,3)23-15-21(16-24(19-23)28(4,5)6)13-14-22-17-25(29(7,8)9)20-26(18-22)30(10,11)12/h13-20H,1-12H3
InChIKeyCOYBCPIRNMSVNL-UHFFFAOYSA-N
MW404.68 g/mol
LogP9.05
Rot. Bonds2

About 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene

1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene (PubChem CID 4625492) has the molecular formula C30H44 and a molecular weight of 404.68 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
PubChem CID4625492
Molecular FormulaC30H44
Molecular Weight404.68 g/mol
Exact Mass404.34
IUPAC Name1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1cc(C=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C30H44/c1-27(2,3)23-15-21(16-24(19-23)28(4,5)6)13-14-22-17-25(29(7,8)9)20-26(18-22)30(10,11)12/h13-20H,1-12H3
InChIKeyCOYBCPIRNMSVNL-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 59.05
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

1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
1,3-ditert-butyl-5-[2-[3-[2-(3,5-ditert-butylphenyl)ethenyl]-5-ethynylphenyl]ethenyl]benzene
CID 86592750
1,3-ditert-butyl-5-[(E)-2-[3-(2,2-dibromoethenyl)-5-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 87326853
(2E,4E)-5-(3,5-ditert-butylphenyl)penta-2,4-dienal
CID 10659685
1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
CID 10714265
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]cyclopenta-1,3-diene-1-carbaldehyde
CID 144775934
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane
CID 173177670
3-(3,5-ditert-butylphenyl)-1-phenylprop-2-en-1-one
CID 5154900
3-tert-butyl-5-(2-hydroxypropan-2-yl)benzaldehyde
CID 90399750

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene?
The IUPAC name of 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene (CID 4625492) is 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene is CC(C)(C)c1cc(C=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene?
The InChIKey is COYBCPIRNMSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44/c1-27(2,3)23-15-21(16-24(19-23)28(4,5)6)13-14-22-17-25(29(7,8)9)20-26(18-22)30(10,11)12/h13-20H,1-12H3.
What are the key properties of 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene?
1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene has a molecular weight of 404.68 g/mol, XLogP of 9.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene is sourced from PubChem (CID 4625492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).