1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene

C20H18 — CID 145066203

IUPAC1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
SMILESC1=CC=C(c2ccccc2C2=CCC=CC=C2)CC=C1
InChIInChI=1S/C20H18/c1-2-6-12-17(11-5-1)19-15-9-10-16-20(19)18-13-7-3-4-8-14-18/h1-7,9-11,13-16H,8,12H2
InChIKeyOKHZQTRBEGHKLM-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.49
Rot. Bonds2

About 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene

1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene (PubChem CID 145066203) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
PubChem CID145066203
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene
SMILESC1=CC=C(c2ccccc2C2=CCC=CC=C2)CC=C1
InChIInChI=1S/C20H18/c1-2-6-12-17(11-5-1)19-15-9-10-16-20(19)18-13-7-3-4-8-14-18/h1-7,9-11,13-16H,8,12H2
InChIKeyOKHZQTRBEGHKLM-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclohepta-1,4,6-trien-1-ylaniline
CID 134382260
methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 145003907
2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline
CID 143292973
ethane;methane;2-phenylcyclohepta-1,3,5-triene
CID 154646973
2,4-dihydroazulene
CID 21189020
[2-[(3-cyclohepta-1,3,5-trien-1-ylphenoxy)-[(2-cyclohepta-1,4,6-trien-1-ylphenyl)methoxy]phosphanyl]oxyphenyl]methyl (2-phenylphenyl) (3-phenylphenyl) phosphite
CID 142850095
(4Z,6Z)-8H-cyclopenta[8]annulene
CID 136672977
1-cyclohepta-1,4,6-trien-1-yldibenzothiophene
CID 145078987
2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
CID 123370354
1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 139725078
2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
CID 174354698

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene (CID 145066203) is 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene is C1=CC=C(c2ccccc2C2=CCC=CC=C2)CC=C1.
What is the InChIKey of 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is OKHZQTRBEGHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-2-6-12-17(11-5-1)19-15-9-10-16-20(19)18-13-7-3-4-8-14-18/h1-7,9-11,13-16H,8,12H2.
What are the key properties of 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene?
1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 258.36 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohepta-1,4,6-trien-1-ylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 145066203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).