4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]

C33H24 — CID 144864353

IUPAC4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
SMILESCc1ccccc1-c1ccc2c(c1C)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H24/c1-21-11-3-4-12-23(21)24-19-20-31-32(22(24)2)27-15-7-10-18-30(27)33(31)28-16-8-5-13-25(28)26-14-6-9-17-29(26)33/h3-20H,1-2H3
InChIKeyFQLSHEJGAZHCAV-UHFFFAOYSA-N
MW420.56 g/mol
LogP8.31
Rot. Bonds1

About 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]

4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] (PubChem CID 144864353) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
PubChem CID144864353
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
SMILESCc1ccccc1-c1ccc2c(c1C)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C33H24/c1-21-11-3-4-12-23(21)24-19-20-31-32(22(24)2)27-15-7-10-18-30(27)33(31)28-16-8-5-13-25(28)26-14-6-9-17-29(26)33/h3-20H,1-2H3
InChIKeyFQLSHEJGAZHCAV-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] with MolForge

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

Launch Full Analysis

Related Compounds

4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
CID 102532137
CID 102532137
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
CID 161480521
4-methyl-9,9-diphenylfluorene
CID 123595050
6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] (CID 144864353) is 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] is Cc1ccccc1-c1ccc2c(c1C)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]?
The InChIKey is FQLSHEJGAZHCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-21-11-3-4-12-23(21)24-19-20-31-32(22(24)2)27-15-7-10-18-30(27)33(31)28-16-8-5-13-25(28)26-14-6-9-17-29(26)33/h3-20H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]?
4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] has a molecular weight of 420.56 g/mol, XLogP of 8.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 144864353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).