4-iodospiro[benzo[b]fluorene-11,9'-xanthene]

C29H17IO — CID 134303867

IUPAC4-iodospiro[benzo[b]fluorene-11,9'-xanthene]
SMILESIc1cccc2c1-c1cc3ccccc3cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H17IO/c30-25-13-7-12-23-28(25)20-16-18-8-1-2-9-19(18)17-24(20)29(23)21-10-3-5-14-26(21)31-27-15-6-4-11-22(27)29/h1-17H
InChIKeyHIAZPLRWEZRUAQ-UHFFFAOYSA-N
MW508.36 g/mol
LogP7.91
Rot. Bonds

About 4-iodospiro[benzo[b]fluorene-11,9'-xanthene]

4-iodospiro[benzo[b]fluorene-11,9'-xanthene] (PubChem CID 134303867) has the molecular formula C29H17IO and a molecular weight of 508.36 g/mol. Its IUPAC name is 4-iodospiro[benzo[b]fluorene-11,9'-xanthene].

Molecular Properties

Compound Name4-iodospiro[benzo[b]fluorene-11,9'-xanthene]
PubChem CID134303867
Molecular FormulaC29H17IO
Molecular Weight508.36 g/mol
Exact Mass508.03
IUPAC Name4-iodospiro[benzo[b]fluorene-11,9'-xanthene]
SMILESIc1cccc2c1-c1cc3ccccc3cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H17IO/c30-25-13-7-12-23-28(25)20-16-18-8-1-2-9-19(18)17-24(20)29(23)21-10-3-5-14-26(21)31-27-15-6-4-11-22(27)29/h1-17H
InChIKeyHIAZPLRWEZRUAQ-UHFFFAOYSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.36
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023741
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477050
5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138477870
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
4-(4-naphthalen-2-ylphenyl)-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidine
CID 158505780
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2-(4-phenylphenyl)-4-spiro[benzo[b]fluorene-11,9'-xanthene]-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126671
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622

Frequently Asked Questions

What is the IUPAC name of 4-iodospiro[benzo[b]fluorene-11,9'-xanthene]?
The IUPAC name of 4-iodospiro[benzo[b]fluorene-11,9'-xanthene] (CID 134303867) is 4-iodospiro[benzo[b]fluorene-11,9'-xanthene].
What is the SMILES notation for 4-iodospiro[benzo[b]fluorene-11,9'-xanthene]?
The canonical SMILES for 4-iodospiro[benzo[b]fluorene-11,9'-xanthene] is Ic1cccc2c1-c1cc3ccccc3cc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 4-iodospiro[benzo[b]fluorene-11,9'-xanthene]?
The InChIKey is HIAZPLRWEZRUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17IO/c30-25-13-7-12-23-28(25)20-16-18-8-1-2-9-19(18)17-24(20)29(23)21-10-3-5-14-26(21)31-27-15-6-4-11-22(27)29/h1-17H.
What are the key properties of 4-iodospiro[benzo[b]fluorene-11,9'-xanthene]?
4-iodospiro[benzo[b]fluorene-11,9'-xanthene] has a molecular weight of 508.36 g/mol, XLogP of 7.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodospiro[benzo[b]fluorene-11,9'-xanthene] is sourced from PubChem (CID 134303867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).