1,1'-biphenyl;9,9'-spirobi[fluorene]

C37H26 — CID 86073263

IUPAC1,1'-biphenyl;9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C12H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyUJTYROPBQSDPEQ-UHFFFAOYSA-N
MW470.62 g/mol
LogP9.38
Rot. Bonds1

About 1,1'-biphenyl;9,9'-spirobi[fluorene]

1,1'-biphenyl;9,9'-spirobi[fluorene] (PubChem CID 86073263) has the molecular formula C37H26 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1,1'-biphenyl;9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1,1'-biphenyl;9,9'-spirobi[fluorene]
PubChem CID86073263
Molecular FormulaC37H26
Molecular Weight470.62 g/mol
Exact Mass470.20
IUPAC Name1,1'-biphenyl;9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C25H16.C12H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-16H;1-10H
InChIKeyUJTYROPBQSDPEQ-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;9,9'-spirobi[fluorene]?
The IUPAC name of 1,1'-biphenyl;9,9'-spirobi[fluorene] (CID 86073263) is 1,1'-biphenyl;9,9'-spirobi[fluorene].
What is the SMILES notation for 1,1'-biphenyl;9,9'-spirobi[fluorene]?
The canonical SMILES for 1,1'-biphenyl;9,9'-spirobi[fluorene] is c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1,1'-biphenyl;9,9'-spirobi[fluorene]?
The InChIKey is UJTYROPBQSDPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C12H10/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-16H;1-10H.
What are the key properties of 1,1'-biphenyl;9,9'-spirobi[fluorene]?
1,1'-biphenyl;9,9'-spirobi[fluorene] has a molecular weight of 470.62 g/mol, XLogP of 9.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;9,9'-spirobi[fluorene] is sourced from PubChem (CID 86073263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).