2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

C24H18N2O — CID 139234699

IUPAC2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccc2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C24H18N2O/c27-24-21-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)22(21)25-23(26-24)17-12-6-2-7-13-17/h1-15,23,25H,(H,26,27)
InChIKeyZXHFALGHKOVMOD-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.31
Rot. Bonds2

About 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one

2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (PubChem CID 139234699) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
PubChem CID139234699
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
SMILESO=C1NC(c2ccccc2)Nc2c1c1cccccc-1c2-c1ccccc1
InChIInChI=1S/C24H18N2O/c27-24-21-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)22(21)25-23(26-24)17-12-6-2-7-13-17/h1-15,23,25H,(H,26,27)
InChIKeyZXHFALGHKOVMOD-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The IUPAC name of 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one (CID 139234699) is 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one.
What is the SMILES notation for 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The canonical SMILES for 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is O=C1NC(c2ccccc2)Nc2c1c1cccccc-1c2-c1ccccc1.
What is the InChIKey of 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
The InChIKey is ZXHFALGHKOVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c27-24-21-19-15-9-3-8-14-18(19)20(16-10-4-1-5-11-16)22(21)25-23(26-24)17-12-6-2-7-13-17/h1-15,23,25H,(H,26,27).
What are the key properties of 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one?
2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diphenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one is sourced from PubChem (CID 139234699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).