1,1'-spirobi[xanthene]

C25H16O2 — CID 142709696

IUPAC1,1'-spirobi[xanthene]
SMILESC1=CC2(C=CC=C3Oc4ccccc4C=C32)C2=Cc3ccccc3OC2=C1
InChIInChI=1S/C25H16O2/c1-3-9-21-17(7-1)15-19-23(26-21)11-5-13-25(19)14-6-12-24-20(25)16-18-8-2-4-10-22(18)27-24/h1-16H
InChIKeyYVQSTBDESQHJIU-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.83
Rot. Bonds

About 1,1'-spirobi[xanthene]

1,1'-spirobi[xanthene] (PubChem CID 142709696) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,1'-spirobi[xanthene].

Molecular Properties

Compound Name1,1'-spirobi[xanthene]
PubChem CID142709696
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name1,1'-spirobi[xanthene]
SMILESC1=CC2(C=CC=C3Oc4ccccc4C=C32)C2=Cc3ccccc3OC2=C1
InChIInChI=1S/C25H16O2/c1-3-9-21-17(7-1)15-19-23(26-21)11-5-13-25(19)14-6-12-24-20(25)16-18-8-2-4-10-22(18)27-24/h1-16H
InChIKeyYVQSTBDESQHJIU-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67743111
chromeno[3,2-c]diazepine
CID 155923318
1,2-dihydrocyclopenta[b]chromene
CID 86188664
benzene-1,2-diamine;1,1'-spirobi[fluorene]
CID 121350857
benzenethiol;thiopyrano[3,2-b]chromene
CID 162119969
2-(trifluoromethyl)thiopyrano[3,2-b]chromene;dihydrochloride
CID 159983148
2-methyl-3H-xanthene
CID 91540179
3'-phenyl-2,2'-spirobi[chromene]
CID 6612157
thiopyrano[3,2-b][1,4]benzoxazine
CID 175335166
2H-1,2-benzoxazin-3-ol
CID 22992156
isochromeno[4,3-b]chromene
CID 91373309
2,2-dimethyl-3'-[4-(trifluoromethyl)phenyl]spiro[1-benzofuran-3,2'-chromene]
CID 132991168

Frequently Asked Questions

What is the IUPAC name of 1,1'-spirobi[xanthene]?
The IUPAC name of 1,1'-spirobi[xanthene] (CID 142709696) is 1,1'-spirobi[xanthene].
What is the SMILES notation for 1,1'-spirobi[xanthene]?
The canonical SMILES for 1,1'-spirobi[xanthene] is C1=CC2(C=CC=C3Oc4ccccc4C=C32)C2=Cc3ccccc3OC2=C1.
What is the InChIKey of 1,1'-spirobi[xanthene]?
The InChIKey is YVQSTBDESQHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c1-3-9-21-17(7-1)15-19-23(26-21)11-5-13-25(19)14-6-12-24-20(25)16-18-8-2-4-10-22(18)27-24/h1-16H.
What are the key properties of 1,1'-spirobi[xanthene]?
1,1'-spirobi[xanthene] has a molecular weight of 348.40 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-spirobi[xanthene] is sourced from PubChem (CID 142709696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).