2-(3-iodophenyl)-9,9'-spirobi[fluorene]

C31H19I — CID 59668504

IUPAC2-(3-iodophenyl)-9,9'-spirobi[fluorene]
SMILESIc1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H19I/c32-22-9-7-8-20(18-22)21-16-17-26-25-12-3-6-15-29(25)31(30(26)19-21)27-13-4-1-10-23(27)24-11-2-5-14-28(24)31/h1-19H
InChIKeyJVUJUHGYOLXCOO-UHFFFAOYSA-N
MW518.40 g/mol
LogP8.30
Rot. Bonds1

About 2-(3-iodophenyl)-9,9'-spirobi[fluorene]

2-(3-iodophenyl)-9,9'-spirobi[fluorene] (PubChem CID 59668504) has the molecular formula C31H19I and a molecular weight of 518.40 g/mol. Its IUPAC name is 2-(3-iodophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(3-iodophenyl)-9,9'-spirobi[fluorene]
PubChem CID59668504
Molecular FormulaC31H19I
Molecular Weight518.40 g/mol
Exact Mass518.05
IUPAC Name2-(3-iodophenyl)-9,9'-spirobi[fluorene]
SMILESIc1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C31H19I/c32-22-9-7-8-20(18-22)21-16-17-26-25-12-3-6-15-29(25)31(30(26)19-21)27-13-4-1-10-23(27)24-11-2-5-14-28(24)31/h1-19H
InChIKeyJVUJUHGYOLXCOO-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.40
LogP ≤ 58.30
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

2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2',7'-bis(9,9'-spirobi[fluorene]-1'-yl)-9,9'-spirobi[fluorene]
CID 141243906
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2,4-diphenyl-6-(3-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)pyrimidine
CID 155123113
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2,2',7,7'-tetrakis[3-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 173227728

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(3-iodophenyl)-9,9'-spirobi[fluorene] (CID 59668504) is 2-(3-iodophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(3-iodophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(3-iodophenyl)-9,9'-spirobi[fluorene] is Ic1cccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of 2-(3-iodophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is JVUJUHGYOLXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19I/c32-22-9-7-8-20(18-22)21-16-17-26-25-12-3-6-15-29(25)31(30(26)19-21)27-13-4-1-10-23(27)24-11-2-5-14-28(24)31/h1-19H.
What are the key properties of 2-(3-iodophenyl)-9,9'-spirobi[fluorene]?
2-(3-iodophenyl)-9,9'-spirobi[fluorene] has a molecular weight of 518.40 g/mol, XLogP of 8.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 59668504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).