2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene

C33H34 — CID 123298937

IUPAC2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
SMILESCCCc1cccc(C2(c3cccc(CCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C33H34/c1-5-9-25-11-7-13-27(21-25)33(28-14-8-12-26(22-28)10-6-2)31-19-23(3)15-17-29(31)30-18-16-24(4)20-32(30)33/h7-8,11-22H,5-6,9-10H2,1-4H3
InChIKeyYBYKPLAVNFQLPJ-UHFFFAOYSA-N
MW430.64 g/mol
LogP8.57
Rot. Bonds6

About 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene

2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene (PubChem CID 123298937) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
PubChem CID123298937
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
SMILESCCCc1cccc(C2(c3cccc(CCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1
InChIInChI=1S/C33H34/c1-5-9-25-11-7-13-27(21-25)33(28-14-8-12-26(22-28)10-6-2)31-19-23(3)15-17-29(31)30-18-16-24(4)20-32(30)33/h7-8,11-22H,5-6,9-10H2,1-4H3
InChIKeyYBYKPLAVNFQLPJ-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene?
The IUPAC name of 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene (CID 123298937) is 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene.
What is the SMILES notation for 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene?
The canonical SMILES for 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene is CCCc1cccc(C2(c3cccc(CCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1.
What is the InChIKey of 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene?
The InChIKey is YBYKPLAVNFQLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-5-9-25-11-7-13-27(21-25)33(28-14-8-12-26(22-28)10-6-2)31-19-23(3)15-17-29(31)30-18-16-24(4)20-32(30)33/h7-8,11-22H,5-6,9-10H2,1-4H3.
What are the key properties of 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene?
2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene has a molecular weight of 430.64 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene is sourced from PubChem (CID 123298937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).