1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene

C28H34 — CID 154481391

IUPAC1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene
SMILESCC(C)(C)C1(C(C)(C)C)C=CC=CC1C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C28H34/c1-26(2,3)28(27(4,5)6)21-13-12-17-24(28)20-19-23-16-10-11-18-25(23)22-14-8-7-9-15-22/h7-21,24H,1-6H3
InChIKeyIGLASIQGEQLLQT-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.19
Rot. Bonds3

About 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene

1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene (PubChem CID 154481391) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene
PubChem CID154481391
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene
SMILESCC(C)(C)C1(C(C)(C)C)C=CC=CC1C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C28H34/c1-26(2,3)28(27(4,5)6)21-13-12-17-24(28)20-19-23-16-10-11-18-25(23)22-14-8-7-9-15-22/h7-21,24H,1-6H3
InChIKeyIGLASIQGEQLLQT-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene?
The IUPAC name of 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene (CID 154481391) is 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene.
What is the SMILES notation for 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene?
The canonical SMILES for 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene is CC(C)(C)C1(C(C)(C)C)C=CC=CC1C=Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene?
The InChIKey is IGLASIQGEQLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-26(2,3)28(27(4,5)6)21-13-12-17-24(28)20-19-23-16-10-11-18-25(23)22-14-8-7-9-15-22/h7-21,24H,1-6H3.
What are the key properties of 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene?
1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene has a molecular weight of 370.58 g/mol, XLogP of 8.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,6-ditert-butylcyclohexa-2,4-dien-1-yl)ethenyl]-2-phenylbenzene is sourced from PubChem (CID 154481391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).