3-phenyl-9,9'-spirobi[fluorene]

C31H20 — CID 140844360

IUPAC3-phenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H20/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20H
InChIKeyKISFFNIEXMTGGX-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.70
Rot. Bonds1

About 3-phenyl-9,9'-spirobi[fluorene]

3-phenyl-9,9'-spirobi[fluorene] (PubChem CID 140844360) has the molecular formula C31H20 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3-phenyl-9,9'-spirobi[fluorene]
PubChem CID140844360
Molecular FormulaC31H20
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-phenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H20/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20H
InChIKeyKISFFNIEXMTGGX-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3-phenyl-9,9'-spirobi[fluorene] (CID 140844360) is 3-phenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3-phenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3-phenyl-9,9'-spirobi[fluorene] is c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-9,9'-spirobi[fluorene]?
The InChIKey is KISFFNIEXMTGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20/c1-2-10-21(11-3-1)22-18-19-30-26(20-22)25-14-6-9-17-29(25)31(30)27-15-7-4-12-23(27)24-13-5-8-16-28(24)31/h1-20H.
What are the key properties of 3-phenyl-9,9'-spirobi[fluorene]?
3-phenyl-9,9'-spirobi[fluorene] has a molecular weight of 392.50 g/mol, XLogP of 7.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 140844360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).