9,9'-spirobi[fluorene]

C50H32 — CID 139059557

IUPAC9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C25H16/c2*1-5-13-21-17(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/h2*1-16H
InChIKeyVMMZHPXLVNRGSG-UHFFFAOYSA-N
MW632.81 g/mol
LogP12.06
Rot. Bonds

About 9,9'-spirobi[fluorene]

9,9'-spirobi[fluorene] (PubChem CID 139059557) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9,9'-spirobi[fluorene].

Molecular Properties

Compound Name9,9'-spirobi[fluorene]
PubChem CID139059557
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/2C25H16/c2*1-5-13-21-17(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/h2*1-16H
InChIKeyVMMZHPXLVNRGSG-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[fluorene]?
The IUPAC name of 9,9'-spirobi[fluorene] (CID 139059557) is 9,9'-spirobi[fluorene].
What is the SMILES notation for 9,9'-spirobi[fluorene]?
The canonical SMILES for 9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9'-spirobi[fluorene]?
The InChIKey is VMMZHPXLVNRGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H16/c2*1-5-13-21-17(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/h2*1-16H.
What are the key properties of 9,9'-spirobi[fluorene]?
9,9'-spirobi[fluorene] has a molecular weight of 632.81 g/mol, XLogP of 12.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[fluorene] is sourced from PubChem (CID 139059557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).