2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one

C28H22O — CID 70667661

IUPAC2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one
SMILESCc1ccc(-c2cccc3c2-c2c(cc(C)cc2-c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C28H22O/c1-17-7-11-20(12-8-17)22-5-4-6-23-26(22)27-24(21-13-9-18(2)10-14-21)15-19(3)16-25(27)28(23)29/h4-16H,1-3H3
InChIKeyKLEFYCGSSAKNFG-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.16
Rot. Bonds2

About 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one

2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one (PubChem CID 70667661) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one.

Molecular Properties

Compound Name2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one
PubChem CID70667661
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one
SMILESCc1ccc(-c2cccc3c2-c2c(cc(C)cc2-c2ccc(C)cc2)C3=O)cc1
InChIInChI=1S/C28H22O/c1-17-7-11-20(12-8-17)22-5-4-6-23-26(22)27-24(21-13-9-18(2)10-14-21)15-19(3)16-25(27)28(23)29/h4-16H,1-3H3
InChIKeyKLEFYCGSSAKNFG-UHFFFAOYSA-N
XLogP7.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one?
The IUPAC name of 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one (CID 70667661) is 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one.
What is the SMILES notation for 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one?
The canonical SMILES for 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one is Cc1ccc(-c2cccc3c2-c2c(cc(C)cc2-c2ccc(C)cc2)C3=O)cc1.
What is the InChIKey of 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one?
The InChIKey is KLEFYCGSSAKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-17-7-11-20(12-8-17)22-5-4-6-23-26(22)27-24(21-13-9-18(2)10-14-21)15-19(3)16-25(27)28(23)29/h4-16H,1-3H3.
What are the key properties of 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one?
2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one has a molecular weight of 374.48 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-bis(4-methylphenyl)fluoren-9-one is sourced from PubChem (CID 70667661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).