(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C28H29FN2O — CID 3234335

IUPAC(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C28H29FN2O/c29-25-8-4-7-24(21-25)27(32)31-19-15-28(16-20-31)13-17-30(18-14-28)26-11-9-23(10-12-26)22-5-2-1-3-6-22/h1-12,21H,13-20H2
InChIKeyQSPQWMNYADXAEY-UHFFFAOYSA-N
MW428.55 g/mol
LogP6.02
Rot. Bonds3

About (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 3234335) has the molecular formula C28H29FN2O and a molecular weight of 428.55 g/mol. Its IUPAC name is (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID3234335
Molecular FormulaC28H29FN2O
Molecular Weight428.55 g/mol
Exact Mass428.23
IUPAC Name(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2
InChIInChI=1S/C28H29FN2O/c29-25-8-4-7-24(21-25)27(32)31-19-15-28(16-20-31)13-17-30(18-14-28)26-11-9-23(10-12-26)22-5-2-1-3-6-22/h1-12,21H,13-20H2
InChIKeyQSPQWMNYADXAEY-UHFFFAOYSA-N
XLogP6.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 3234335) is (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2.
What is the InChIKey of (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is QSPQWMNYADXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O/c29-25-8-4-7-24(21-25)27(32)31-19-15-28(16-20-31)13-17-30(18-14-28)26-11-9-23(10-12-26)22-5-2-1-3-6-22/h1-12,21H,13-20H2.
What are the key properties of (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 428.55 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 3234335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).