3,6-diphenyl-9,9'-spirobi[fluorene]

C37H24 — CID 151075436

IUPAC3,6-diphenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)32-24-28(26-13-5-2-6-14-26)20-22-36(32)37(35)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-24H
InChIKeyMIZVNOYNXULGIK-UHFFFAOYSA-N
MW468.60 g/mol
LogP9.36
Rot. Bonds2

About 3,6-diphenyl-9,9'-spirobi[fluorene]

3,6-diphenyl-9,9'-spirobi[fluorene] (PubChem CID 151075436) has the molecular formula C37H24 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3,6-diphenyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3,6-diphenyl-9,9'-spirobi[fluorene]
PubChem CID151075436
Molecular FormulaC37H24
Molecular Weight468.60 g/mol
Exact Mass468.19
IUPAC Name3,6-diphenyl-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)32-24-28(26-13-5-2-6-14-26)20-22-36(32)37(35)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-24H
InChIKeyMIZVNOYNXULGIK-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3,6-diphenyl-9,9'-spirobi[fluorene] (CID 151075436) is 3,6-diphenyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3,6-diphenyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3,6-diphenyl-9,9'-spirobi[fluorene] is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3,6-diphenyl-9,9'-spirobi[fluorene]?
The InChIKey is MIZVNOYNXULGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24/c1-3-11-25(12-4-1)27-19-21-35-31(23-27)32-24-28(26-13-5-2-6-14-26)20-22-36(32)37(35)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h1-24H.
What are the key properties of 3,6-diphenyl-9,9'-spirobi[fluorene]?
3,6-diphenyl-9,9'-spirobi[fluorene] has a molecular weight of 468.60 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 151075436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).