2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene

C30H26 — CID 154438917

IUPAC2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
SMILESC(=Cc1ccccc1)C1=CCC(C=Cc2ccccc2)(C=Cc2ccccc2)C=C1
InChIInChI=1S/C30H26/c1-4-10-26(11-5-1)16-17-29-20-24-30(25-21-29,22-18-27-12-6-2-7-13-27)23-19-28-14-8-3-9-15-28/h1-24H,25H2
InChIKeyJRWZEXBURBMCNN-UHFFFAOYSA-N
MW386.54 g/mol
LogP8.00
Rot. Bonds6

About 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene

2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene (PubChem CID 154438917) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
PubChem CID154438917
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
SMILESC(=Cc1ccccc1)C1=CCC(C=Cc2ccccc2)(C=Cc2ccccc2)C=C1
InChIInChI=1S/C30H26/c1-4-10-26(11-5-1)16-17-29-20-24-30(25-21-29,22-18-27-12-6-2-7-13-27)23-19-28-14-8-3-9-15-28/h1-24H,25H2
InChIKeyJRWZEXBURBMCNN-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 70267811
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
1-acetyloxy-4-(2-phenylethenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70447229
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671
4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 143367130
1-[1-methyl-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-isoindole
CID 70039817
4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 67648697

Frequently Asked Questions

What is the IUPAC name of 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene?
The IUPAC name of 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene (CID 154438917) is 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene is C(=Cc1ccccc1)C1=CCC(C=Cc2ccccc2)(C=Cc2ccccc2)C=C1.
What is the InChIKey of 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene?
The InChIKey is JRWZEXBURBMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-4-10-26(11-5-1)16-17-29-20-24-30(25-21-29,22-18-27-12-6-2-7-13-27)23-19-28-14-8-3-9-15-28/h1-24H,25H2.
What are the key properties of 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene?
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene has a molecular weight of 386.54 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 154438917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).