3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline

C28H23N3 — CID 118585090

IUPAC3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
SMILESNc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)c1
InChIInChI=1S/C28H23N3/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)28-30-26(21-12-6-2-7-13-21)19-27(31-28)22-14-8-3-9-15-22/h1-19,28,30H,29H2
InChIKeyJHAHINYZPZIDOK-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.07
Rot. Bonds4

About 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline

3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline (PubChem CID 118585090) has the molecular formula C28H23N3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline.

Molecular Properties

Compound Name3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
PubChem CID118585090
Molecular FormulaC28H23N3
Molecular Weight401.51 g/mol
Exact Mass401.19
IUPAC Name3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
SMILESNc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)c1
InChIInChI=1S/C28H23N3/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)28-30-26(21-12-6-2-7-13-21)19-27(31-28)22-14-8-3-9-15-22/h1-19,28,30H,29H2
InChIKeyJHAHINYZPZIDOK-UHFFFAOYSA-N
XLogP6.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 130184177
2-(3-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
CID 142324617
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
4,6-diphenyl-2-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,2-dihydropyrimidine
CID 167167379
2-[3-anthracen-2-yl-5-(1,2-dihydropyridin-6-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363110
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-pyren-4-ylphenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363115
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,2-dihydropyrimidine
CID 156553980

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline?
The IUPAC name of 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline (CID 118585090) is 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline.
What is the SMILES notation for 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline?
The canonical SMILES for 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline is Nc1cc(-c2ccccc2)cc(C2N=C(c3ccccc3)C=C(c3ccccc3)N2)c1.
What is the InChIKey of 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline?
The InChIKey is JHAHINYZPZIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3/c29-25-17-23(20-10-4-1-5-11-20)16-24(18-25)28-30-26(21-12-6-2-7-13-21)19-27(31-28)22-14-8-3-9-15-22/h1-19,28,30H,29H2.
What are the key properties of 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline?
3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline has a molecular weight of 401.51 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline is sourced from PubChem (CID 118585090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).