cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene

C26H28 — CID 174797530

IUPACcyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene
SMILESC1=CCCC=C1.CC1(C)C=c2ccccc2=c2ccc3c(c21)CCCC=3
InChIInChI=1S/C20H20.C6H8/c1-20(2)13-15-8-4-5-9-16(15)18-12-11-14-7-3-6-10-17(14)19(18)20;1-2-4-6-5-3-1/h4-5,7-9,11-13H,3,6,10H2,1-2H3;1-4H,5-6H2
InChIKeyRPLPMVSUYMYZSZ-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.05
Rot. Bonds

About cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene

cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene (PubChem CID 174797530) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene.

Molecular Properties

Compound Namecyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene
PubChem CID174797530
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Namecyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene
SMILESC1=CCCC=C1.CC1(C)C=c2ccccc2=c2ccc3c(c21)CCCC=3
InChIInChI=1S/C20H20.C6H8/c1-20(2)13-15-8-4-5-9-16(15)18-12-11-14-7-3-6-10-17(14)19(18)20;1-2-4-6-5-3-1/h4-5,7-9,11-13H,3,6,10H2,1-2H3;1-4H,5-6H2
InChIKeyRPLPMVSUYMYZSZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 175274731
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CID 174452743
5-methyl-7,8-dihydro-6H-benzo[7]annulene
CID 143041691
1,5-benzothiazepine;2,3,4,5-tetrahydrochrysene
CID 174283510
tert-butyl 8,9,10,11-tetrahydrochrysene-1-carboxylate
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8,9-dichloro-2,3,4,5-tetrahydrochrysene
CID 174698795
cyclohexa-1,3-diene;1,2-xylene
CID 159360183
1H-1,5-benzodiazepine;5-hexyl-2,3,4,5-tetrahydrochrysene
CID 174279173
7,8-dichloro-2,3,4,5-tetrahydrochrysene
CID 175280785
3-(7-fluoro-2,3,4,5-tetrahydrochrysen-5-yl)-1,2-benzothiazepine
CID 174440769
2-[2-methyl-1-(8,9,10,11-tetrahydrochrysen-2-yl)propyl]benzene-1,3-dicarboxylic acid
CID 174828829
2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide
CID 174268385

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene?
The IUPAC name of cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene (CID 174797530) is cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene.
What is the SMILES notation for cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene?
The canonical SMILES for cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene is C1=CCCC=C1.CC1(C)C=c2ccccc2=c2ccc3c(c21)CCCC=3.
What is the InChIKey of cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene?
The InChIKey is RPLPMVSUYMYZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20.C6H8/c1-20(2)13-15-8-4-5-9-16(15)18-12-11-14-7-3-6-10-17(14)19(18)20;1-2-4-6-5-3-1/h4-5,7-9,11-13H,3,6,10H2,1-2H3;1-4H,5-6H2.
What are the key properties of cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene?
cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene has a molecular weight of 340.51 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;5,5-dimethyl-3,4-dihydro-2H-chrysene is sourced from PubChem (CID 174797530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).