8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene

C28H22O2 — CID 138576275

IUPAC8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene
SMILESCc1cccc(-c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(C)C)c1
InChIInChI=1S/C28H22O2/c1-17-7-6-8-18(15-17)19-11-13-23-25(16-19)29-24-14-12-22-26(27(24)30-23)20-9-4-5-10-21(20)28(22,2)3/h4-16H,1-3H3
InChIKeyMMKDHLNTVGYLJT-UHFFFAOYSA-N
MW390.48 g/mol
LogP7.87
Rot. Bonds1

About 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene

8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene (PubChem CID 138576275) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene
PubChem CID138576275
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene
SMILESCc1cccc(-c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(C)C)c1
InChIInChI=1S/C28H22O2/c1-17-7-6-8-18(15-17)19-11-13-23-25(16-19)29-24-14-12-22-26(27(24)30-23)20-9-4-5-10-21(20)28(22,2)3/h4-16H,1-3H3
InChIKeyMMKDHLNTVGYLJT-UHFFFAOYSA-N
XLogP7.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575553
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138576140
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
9,9-dimethyl-4-(3-methylphenyl)fluorene
CID 59182848

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene?
The IUPAC name of 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene (CID 138576275) is 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene.
What is the SMILES notation for 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene?
The canonical SMILES for 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene is Cc1cccc(-c2ccc3c(c2)Oc2ccc4c(c2O3)-c2ccccc2C4(C)C)c1.
What is the InChIKey of 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene?
The InChIKey is MMKDHLNTVGYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-17-7-6-8-18(15-17)19-11-13-23-25(16-19)29-24-14-12-22-26(27(24)30-23)20-9-4-5-10-21(20)28(22,2)3/h4-16H,1-3H3.
What are the key properties of 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene?
8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene has a molecular weight of 390.48 g/mol, XLogP of 7.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(3-methylphenyl)indeno[1,2-a]oxanthrene is sourced from PubChem (CID 138576275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).