benzene;9,9'-spirobi[fluorene]

C31H22 — CID 86148011

IUPACbenzene;9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccccc1
InChIInChI=1S/C25H16.C6H6/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;1-2-4-6-5-3-1/h1-16H;1-6H
InChIKeyKDDAWUDAFWDYPZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.72
Rot. Bonds

About benzene;9,9'-spirobi[fluorene]

benzene;9,9'-spirobi[fluorene] (PubChem CID 86148011) has the molecular formula C31H22 and a molecular weight of 394.52 g/mol. Its IUPAC name is benzene;9,9'-spirobi[fluorene].

Molecular Properties

Compound Namebenzene;9,9'-spirobi[fluorene]
PubChem CID86148011
Molecular FormulaC31H22
Molecular Weight394.52 g/mol
Exact Mass394.17
IUPAC Namebenzene;9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccccc1
InChIInChI=1S/C25H16.C6H6/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;1-2-4-6-5-3-1/h1-16H;1-6H
InChIKeyKDDAWUDAFWDYPZ-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;9,9'-spirobi[fluorene]?
The IUPAC name of benzene;9,9'-spirobi[fluorene] (CID 86148011) is benzene;9,9'-spirobi[fluorene].
What is the SMILES notation for benzene;9,9'-spirobi[fluorene]?
The canonical SMILES for benzene;9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccccc1.
What is the InChIKey of benzene;9,9'-spirobi[fluorene]?
The InChIKey is KDDAWUDAFWDYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16.C6H6/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;1-2-4-6-5-3-1/h1-16H;1-6H.
What are the key properties of benzene;9,9'-spirobi[fluorene]?
benzene;9,9'-spirobi[fluorene] has a molecular weight of 394.52 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9,9'-spirobi[fluorene] is sourced from PubChem (CID 86148011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).