2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene

C29H30 — CID 174381909

IUPAC2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene
SMILESCc1ccc(-c2cccc3c4c(ccc23)C2=C(CC(C)(C)C=C2)CC4(C)C)cc1
InChIInChI=1S/C29H30/c1-19-9-11-20(12-10-19)22-7-6-8-25-24(22)13-14-26-23-15-16-28(2,3)17-21(23)18-29(4,5)27(25)26/h6-16H,17-18H2,1-5H3
InChIKeyDBDACEAZJTWGMS-UHFFFAOYSA-N
MW378.56 g/mol
LogP8.24
Rot. Bonds1

About 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene

2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene (PubChem CID 174381909) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene.

Molecular Properties

Compound Name2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene
PubChem CID174381909
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene
SMILESCc1ccc(-c2cccc3c4c(ccc23)C2=C(CC(C)(C)C=C2)CC4(C)C)cc1
InChIInChI=1S/C29H30/c1-19-9-11-20(12-10-19)22-7-6-8-25-24(22)13-14-26-23-15-16-28(2,3)17-21(23)18-29(4,5)27(25)26/h6-16H,17-18H2,1-5H3
InChIKeyDBDACEAZJTWGMS-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene?
The IUPAC name of 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene (CID 174381909) is 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene.
What is the SMILES notation for 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene?
The canonical SMILES for 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene is Cc1ccc(-c2cccc3c4c(ccc23)C2=C(CC(C)(C)C=C2)CC4(C)C)cc1.
What is the InChIKey of 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene?
The InChIKey is DBDACEAZJTWGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-19-9-11-20(12-10-19)22-7-6-8-25-24(22)13-14-26-23-15-16-28(2,3)17-21(23)18-29(4,5)27(25)26/h6-16H,17-18H2,1-5H3.
What are the key properties of 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene?
2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene has a molecular weight of 378.56 g/mol, XLogP of 8.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,11,11-tetramethyl-7-(4-methylphenyl)-1,12-dihydrochrysene is sourced from PubChem (CID 174381909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).