2',7'-diphenyl-9,9'-spirobi[xanthene]

C37H24O2 — CID 118698131

IUPAC2',7'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2O3)cc1
InChIInChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26/h1-24H
InChIKeyDKARNVYSTLYBOL-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.61
Rot. Bonds2

About 2',7'-diphenyl-9,9'-spirobi[xanthene]

2',7'-diphenyl-9,9'-spirobi[xanthene] (PubChem CID 118698131) has the molecular formula C37H24O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2',7'-diphenyl-9,9'-spirobi[xanthene].

Molecular Properties

Compound Name2',7'-diphenyl-9,9'-spirobi[xanthene]
PubChem CID118698131
Molecular FormulaC37H24O2
Molecular Weight500.60 g/mol
Exact Mass500.18
IUPAC Name2',7'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2O3)cc1
InChIInChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26/h1-24H
InChIKeyDKARNVYSTLYBOL-UHFFFAOYSA-N
XLogP9.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2',7'-diphenyl-9,9'-spirobi[xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933

Frequently Asked Questions

What is the IUPAC name of 2',7'-diphenyl-9,9'-spirobi[xanthene]?
The IUPAC name of 2',7'-diphenyl-9,9'-spirobi[xanthene] (CID 118698131) is 2',7'-diphenyl-9,9'-spirobi[xanthene].
What is the SMILES notation for 2',7'-diphenyl-9,9'-spirobi[xanthene]?
The canonical SMILES for 2',7'-diphenyl-9,9'-spirobi[xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4)ccc2O3)cc1.
What is the InChIKey of 2',7'-diphenyl-9,9'-spirobi[xanthene]?
The InChIKey is DKARNVYSTLYBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)37(29-15-7-9-17-33(29)38-34-18-10-8-16-30(34)37)32-24-28(20-22-36(32)39-35)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2',7'-diphenyl-9,9'-spirobi[xanthene]?
2',7'-diphenyl-9,9'-spirobi[xanthene] has a molecular weight of 500.60 g/mol, XLogP of 9.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-diphenyl-9,9'-spirobi[xanthene] is sourced from PubChem (CID 118698131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).