7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene

C29H24 — CID 122228966

IUPAC7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene
SMILESCc1cccc(-c2cc3c(c4c2-c2ccccc2C4C)-c2ccccc2C3C)c1
InChIInChI=1S/C29H24/c1-17-9-8-10-20(15-17)26-16-25-18(2)21-11-4-6-13-23(21)28(25)27-19(3)22-12-5-7-14-24(22)29(26)27/h4-16,18-19H,1-3H3
InChIKeyPZXRUGGLDBUGCR-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.93
Rot. Bonds1

About 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene

7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene (PubChem CID 122228966) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene.

Molecular Properties

Compound Name7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene
PubChem CID122228966
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene
SMILESCc1cccc(-c2cc3c(c4c2-c2ccccc2C4C)-c2ccccc2C3C)c1
InChIInChI=1S/C29H24/c1-17-9-8-10-20(15-17)26-16-25-18(2)21-11-4-6-13-23(21)28(25)27-19(3)22-12-5-7-14-24(22)29(26)27/h4-16,18-19H,1-3H3
InChIKeyPZXRUGGLDBUGCR-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene?
The IUPAC name of 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene (CID 122228966) is 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene.
What is the SMILES notation for 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene?
The canonical SMILES for 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene is Cc1cccc(-c2cc3c(c4c2-c2ccccc2C4C)-c2ccccc2C3C)c1.
What is the InChIKey of 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene?
The InChIKey is PZXRUGGLDBUGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24/c1-17-9-8-10-20(15-17)26-16-25-18(2)21-11-4-6-13-23(21)28(25)27-19(3)22-12-5-7-14-24(22)29(26)27/h4-16,18-19H,1-3H3.
What are the key properties of 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene?
7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene has a molecular weight of 372.51 g/mol, XLogP of 7.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dimethyl-5-(3-methylphenyl)-7,12-dihydroindeno[1,2-a]fluorene is sourced from PubChem (CID 122228966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).