1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine

C28H21NO — CID 2853172

IUPAC1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\C1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C28H21NO/c1-4-12-21(13-5-1)27-24-18-10-11-19-26(24)30-28(22-14-6-2-7-15-22)25(27)20-29-23-16-8-3-9-17-23/h1-20,27H/b29-20+
InChIKeySXVUZNJHWGLXJY-ZTKZIYFRSA-N
MW387.48 g/mol
LogP7.02
Rot. Bonds4

About 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine

1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine (PubChem CID 2853172) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
PubChem CID2853172
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\C1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1
InChIInChI=1S/C28H21NO/c1-4-12-21(13-5-1)27-24-18-10-11-19-26(24)30-28(22-14-6-2-7-15-22)25(27)20-29-23-16-8-3-9-17-23/h1-20,27H/b29-20+
InChIKeySXVUZNJHWGLXJY-ZTKZIYFRSA-N
XLogP7.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine?
The IUPAC name of 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine (CID 2853172) is 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine is C(=N/c1ccccc1)\C1=C(c2ccccc2)Oc2ccccc2C1c1ccccc1.
What is the InChIKey of 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine?
The InChIKey is SXVUZNJHWGLXJY-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H21NO/c1-4-12-21(13-5-1)27-24-18-10-11-19-26(24)30-28(22-14-6-2-7-15-22)25(27)20-29-23-16-8-3-9-17-23/h1-20,27H/b29-20+.
What are the key properties of 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine?
1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine has a molecular weight of 387.48 g/mol, XLogP of 7.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenyl-4H-chromen-3-yl)-N-phenylmethanimine is sourced from PubChem (CID 2853172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).