9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene

C29H24I2 — CID 170621532

IUPAC9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
SMILESCc1cc(C2(c3cc(C)c(I)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1I
InChIInChI=1S/C29H24I2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,1-4H3
InChIKeyGTTGJZSUOUZWFR-UHFFFAOYSA-N
MW626.32 g/mol
LogP8.49
Rot. Bonds2

About 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene

9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene (PubChem CID 170621532) has the molecular formula C29H24I2 and a molecular weight of 626.32 g/mol. Its IUPAC name is 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
PubChem CID170621532
Molecular FormulaC29H24I2
Molecular Weight626.32 g/mol
Exact Mass626.00
IUPAC Name9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
SMILESCc1cc(C2(c3cc(C)c(I)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1I
InChIInChI=1S/C29H24I2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,1-4H3
InChIKeyGTTGJZSUOUZWFR-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.32
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 9,9-bis(4-iodo-3,5-dimethylphenyl)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 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene?
The IUPAC name of 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene (CID 170621532) is 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene.
What is the SMILES notation for 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene?
The canonical SMILES for 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene is Cc1cc(C2(c3cc(C)c(I)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1I.
What is the InChIKey of 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene?
The InChIKey is GTTGJZSUOUZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24I2/c1-17-13-21(14-18(2)27(17)30)29(22-15-19(3)28(31)20(4)16-22)25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-16H,1-4H3.
What are the key properties of 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene?
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene has a molecular weight of 626.32 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene is sourced from PubChem (CID 170621532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).