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'}

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Related Compounds

9,9-bis(4-ethoxy-3-methylphenyl)fluorene
CID 143337003
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
CID 129026642
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
[5-[9-[3-(acetyloxymethyl)-4-hydroxy-5-methylphenyl]fluoren-9-yl]-2-hydroxy-3-methylphenyl]methyl acetate
CID 122578306

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).