9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene

C30H28 — CID 158311989

IUPAC9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C30H28/c1-19-6-10-24(11-7-19)30(25-15-22(4)14-23(5)16-25)28-17-20(2)8-12-26(28)27-13-9-21(3)18-29(27)30/h6-18H,1-5H3
InChIKeyUFYHRPQKHKPCDU-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.59
Rot. Bonds2

About 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene

9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene (PubChem CID 158311989) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
PubChem CID158311989
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1
InChIInChI=1S/C30H28/c1-19-6-10-24(11-7-19)30(25-15-22(4)14-23(5)16-25)28-17-20(2)8-12-26(28)27-13-9-21(3)18-29(27)30/h6-18H,1-5H3
InChIKeyUFYHRPQKHKPCDU-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene?
The IUPAC name of 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene (CID 158311989) is 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene?
The canonical SMILES for 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene is Cc1ccc(C2(c3cc(C)cc(C)c3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene?
The InChIKey is UFYHRPQKHKPCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-19-6-10-24(11-7-19)30(25-15-22(4)14-23(5)16-25)28-17-20(2)8-12-26(28)27-13-9-21(3)18-29(27)30/h6-18H,1-5H3.
What are the key properties of 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene?
9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene has a molecular weight of 388.55 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 158311989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).