3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene

C24H17I — CID 163739568

IUPAC3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CI=C1
InChIInChI=1S/C24H17I/c1-2-9-18(10-3-1)24(19-11-8-16-25-17-19)22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h1-17H
InChIKeyLGOZSRCIQRJNTJ-UHFFFAOYSA-N
MW432.30 g/mol
LogP6.23
Rot. Bonds2

About 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene

3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene (PubChem CID 163739568) has the molecular formula C24H17I and a molecular weight of 432.30 g/mol. Its IUPAC name is 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene.

Molecular Properties

Compound Name3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene
PubChem CID163739568
Molecular FormulaC24H17I
Molecular Weight432.30 g/mol
Exact Mass432.04
IUPAC Name3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene
SMILESC1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CI=C1
InChIInChI=1S/C24H17I/c1-2-9-18(10-3-1)24(19-11-8-16-25-17-19)22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h1-17H
InChIKeyLGOZSRCIQRJNTJ-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 56.23
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-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9-(2-fluorophenyl)-9-phenylfluorene
CID 102442885
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
4-(9-phenylfluoren-9-yl)benzenethiol
CID 58769505
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
9-(7-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-phenylfluorene
CID 144556488
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene?
The IUPAC name of 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene (CID 163739568) is 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene.
What is the SMILES notation for 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene?
The canonical SMILES for 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene is C1=CC(C2(c3ccccc3)c3ccccc3-c3ccccc32)=CI=C1.
What is the InChIKey of 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene?
The InChIKey is LGOZSRCIQRJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17I/c1-2-9-18(10-3-1)24(19-11-8-16-25-17-19)22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h1-17H.
What are the key properties of 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene?
3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene has a molecular weight of 432.30 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylfluoren-9-yl)-1λ3-iodacyclohexa-2,4,6-triene is sourced from PubChem (CID 163739568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).