4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine

C52H36N2 — CID 174243578

IUPAC4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)N=C1c1ccccc1
InChIInChI=1S/C52H36N2/c1-3-14-35(15-4-1)50-34-51(36-16-5-2-6-17-36)54-52(53-50)43-23-13-22-41(32-43)39-20-11-18-37(30-39)38-19-12-21-40(31-38)42-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-42/h1-34,52-53H
InChIKeyNPHWQXFDBKHFKZ-UHFFFAOYSA-N
MW688.87 g/mol
LogP13.28
Rot. Bonds6

About 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine

4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine (PubChem CID 174243578) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
PubChem CID174243578
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)N=C1c1ccccc1
InChIInChI=1S/C52H36N2/c1-3-14-35(15-4-1)50-34-51(36-16-5-2-6-17-36)54-52(53-50)43-23-13-22-41(32-43)39-20-11-18-37(30-39)38-19-12-21-40(31-38)42-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-42/h1-34,52-53H
InChIKeyNPHWQXFDBKHFKZ-UHFFFAOYSA-N
XLogP13.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 513.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylsulfanylphenyl)-6-phenyl-4-(3-phenylphenyl)-1,2-dihydropyrimidine
CID 142324617
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,2-dihydropyrimidin-2-yl)phenyl]-9-phenylcarbazole
CID 149248935
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylaniline
CID 118585090
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenyl-1,2-dihydropyrimidine
CID 130374602
3-[7-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142487970
16-[4-[3-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 121442241
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine (CID 174243578) is 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2cccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)c2)N=C1c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine?
The InChIKey is NPHWQXFDBKHFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-14-35(15-4-1)50-34-51(36-16-5-2-6-17-36)54-52(53-50)43-23-13-22-41(32-43)39-20-11-18-37(30-39)38-19-12-21-40(31-38)42-28-29-48-46-26-8-7-24-44(46)45-25-9-10-27-47(45)49(48)33-42/h1-34,52-53H.
What are the key properties of 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine?
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine has a molecular weight of 688.87 g/mol, XLogP of 13.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 174243578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).