2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]

C32H22O — CID 171714732

IUPAC2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]
SMILESCOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H22O/c1-33-23-17-14-21(15-18-23)22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32/h2-20H,1H3
InChIKeyFFEGNPCTEJNSTJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.71
Rot. Bonds2

About 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]

2-(4-methoxyphenyl)-9,9'-spirobi[fluorene] (PubChem CID 171714732) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]
PubChem CID171714732
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]
SMILESCOc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H22O/c1-33-23-17-14-21(15-18-23)22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32/h2-20H,1H3
InChIKeyFFEGNPCTEJNSTJ-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene] (CID 171714732) is 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene] is COc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]?
The InChIKey is FFEGNPCTEJNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-33-23-17-14-21(15-18-23)22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32/h2-20H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene]?
2-(4-methoxyphenyl)-9,9'-spirobi[fluorene] has a molecular weight of 422.53 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 171714732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).