5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]

C37H22ClF — CID 156524781

IUPAC5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]
SMILESFc1ccc2c(c1)-c1c(-c3ccccc3-c3ccc(Cl)cc3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H22ClF/c38-24-18-16-23(17-19-24)26-8-1-2-9-27(26)30-12-7-15-35-36(30)31-22-25(39)20-21-34(31)37(35)32-13-5-3-10-28(32)29-11-4-6-14-33(29)37/h1-22H
InChIKeyZNQCSAIAUUROIH-UHFFFAOYSA-N
MW521.03 g/mol
LogP10.16
Rot. Bonds2

About 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]

5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene] (PubChem CID 156524781) has the molecular formula C37H22ClF and a molecular weight of 521.03 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]
PubChem CID156524781
Molecular FormulaC37H22ClF
Molecular Weight521.03 g/mol
Exact Mass520.14
IUPAC Name5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]
SMILESFc1ccc2c(c1)-c1c(-c3ccccc3-c3ccc(Cl)cc3)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H22ClF/c38-24-18-16-23(17-19-24)26-8-1-2-9-27(26)30-12-7-15-35-36(30)31-22-25(39)20-21-34(31)37(35)32-13-5-3-10-28(32)29-11-4-6-14-33(29)37/h1-22H
InChIKeyZNQCSAIAUUROIH-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.03
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]?
The IUPAC name of 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene] (CID 156524781) is 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene].
What is the SMILES notation for 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]?
The canonical SMILES for 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene] is Fc1ccc2c(c1)-c1c(-c3ccccc3-c3ccc(Cl)cc3)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]?
The InChIKey is ZNQCSAIAUUROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClF/c38-24-18-16-23(17-19-24)26-8-1-2-9-27(26)30-12-7-15-35-36(30)31-22-25(39)20-21-34(31)37(35)32-13-5-3-10-28(32)29-11-4-6-14-33(29)37/h1-22H.
What are the key properties of 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene]?
5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene] has a molecular weight of 521.03 g/mol, XLogP of 10.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)phenyl]-3-fluoro-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).