9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene

C37H42 — CID 160898108

IUPAC9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(c1cc(C)c(C(C)C)cc1C)(c1cc(C)c(C(C)C)cc1C)c1cc(C)ccc1-2
InChIInChI=1S/C37H42/c1-21(2)31-17-27(9)33(19-25(31)7)37(34-20-26(8)32(22(3)4)18-28(34)10)35-15-23(5)11-13-29(35)30-14-12-24(6)16-36(30)37/h11-22H,1-10H3
InChIKeyRZUIDTOJUASAGP-UHFFFAOYSA-N
MW486.74 g/mol
LogP10.15
Rot. Bonds4

About 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene

9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene (PubChem CID 160898108) has the molecular formula C37H42 and a molecular weight of 486.74 g/mol. Its IUPAC name is 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene
PubChem CID160898108
Molecular FormulaC37H42
Molecular Weight486.74 g/mol
Exact Mass486.33
IUPAC Name9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(c1cc(C)c(C(C)C)cc1C)(c1cc(C)c(C(C)C)cc1C)c1cc(C)ccc1-2
InChIInChI=1S/C37H42/c1-21(2)31-17-27(9)33(19-25(31)7)37(34-20-26(8)32(22(3)4)18-28(34)10)35-15-23(5)11-13-29(35)30-14-12-24(6)16-36(30)37/h11-22H,1-10H3
InChIKeyRZUIDTOJUASAGP-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene 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 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene (CID 160898108) is 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene is Cc1ccc2c(c1)C(c1cc(C)c(C(C)C)cc1C)(c1cc(C)c(C(C)C)cc1C)c1cc(C)ccc1-2.
What is the InChIKey of 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene?
The InChIKey is RZUIDTOJUASAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42/c1-21(2)31-17-27(9)33(19-25(31)7)37(34-20-26(8)32(22(3)4)18-28(34)10)35-15-23(5)11-13-29(35)30-14-12-24(6)16-36(30)37/h11-22H,1-10H3.
What are the key properties of 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene?
9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene has a molecular weight of 486.74 g/mol, XLogP of 10.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2,5-dimethyl-4-propan-2-ylphenyl)-2,7-dimethylfluorene is sourced from PubChem (CID 160898108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).