3,3'-diphenyl-9,9'-spirobi[xanthene]

C37H24O2 — CID 118698118

IUPAC3,3'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h1-24H
InChIKeyCMBVQWMIRCENOA-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.61
Rot. Bonds2

About 3,3'-diphenyl-9,9'-spirobi[xanthene]

3,3'-diphenyl-9,9'-spirobi[xanthene] (PubChem CID 118698118) has the molecular formula C37H24O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3,3'-diphenyl-9,9'-spirobi[xanthene].

Molecular Properties

Compound Name3,3'-diphenyl-9,9'-spirobi[xanthene]
PubChem CID118698118
Molecular FormulaC37H24O2
Molecular Weight500.60 g/mol
Exact Mass500.18
IUPAC Name3,3'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h1-24H
InChIKeyCMBVQWMIRCENOA-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

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Related Compounds

2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
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-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 157393766

Frequently Asked Questions

What is the IUPAC name of 3,3'-diphenyl-9,9'-spirobi[xanthene]?
The IUPAC name of 3,3'-diphenyl-9,9'-spirobi[xanthene] (CID 118698118) is 3,3'-diphenyl-9,9'-spirobi[xanthene].
What is the SMILES notation for 3,3'-diphenyl-9,9'-spirobi[xanthene]?
The canonical SMILES for 3,3'-diphenyl-9,9'-spirobi[xanthene] is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3,3'-diphenyl-9,9'-spirobi[xanthene]?
The InChIKey is CMBVQWMIRCENOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O2/c1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 3,3'-diphenyl-9,9'-spirobi[xanthene]?
3,3'-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 3,3'-diphenyl-9,9'-spirobi[xanthene] is sourced from PubChem (CID 118698118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).