1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene

C21H20 — CID 142749479

IUPAC1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene
SMILESC1=CCC(C2=Cc3ccccc3C2C2C=CC=CC2)C=C1
InChIInChI=1S/C21H20/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(20)17-11-5-2-6-12-17/h1-9,11,13-17,21H,10,12H2
InChIKeyATVGPUCJFISYDM-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.43
Rot. Bonds2

About 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene

1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene (PubChem CID 142749479) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene.

Molecular Properties

Compound Name1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene
PubChem CID142749479
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene
SMILESC1=CCC(C2=Cc3ccccc3C2C2C=CC=CC2)C=C1
InChIInChI=1S/C21H20/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(20)17-11-5-2-6-12-17/h1-9,11,13-17,21H,10,12H2
InChIKeyATVGPUCJFISYDM-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 155239563
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CID 67426658
1-cyclohexa-2,4-dien-1-yl-2-propylbenzene
CID 156826957
2-(2-cyclohexa-2,4-dien-1-ylphenyl)-4,6-bis(2-phenylphenyl)benzene-1,3,5-triol
CID 142403071
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-cyclohexa-2,4-dien-1-yl-8-methyl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
CID 91803021
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
2-cyclohexa-2,4-dien-1-yl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 163387067
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
CID 126515673
1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
4-cyclohexa-2,4-dien-1-ylpyridine
CID 141178072

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene?
The IUPAC name of 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene (CID 142749479) is 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene.
What is the SMILES notation for 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene?
The canonical SMILES for 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene is C1=CCC(C2=Cc3ccccc3C2C2C=CC=CC2)C=C1.
What is the InChIKey of 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene?
The InChIKey is ATVGPUCJFISYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-3-9-16(10-4-1)20-15-18-13-7-8-14-19(18)21(20)17-11-5-2-6-12-17/h1-9,11,13-17,21H,10,12H2.
What are the key properties of 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene?
1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene has a molecular weight of 272.39 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclohexa-2,4-dien-1-yl)-1H-indene is sourced from PubChem (CID 142749479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).