2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine

C44H30N4 — CID 145179732

IUPAC2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)N=C(c3ccc(-c4ccccn4)cc3)N2)cc1
InChIInChI=1S/C44H30N4/c1-2-10-31(11-3-1)42-46-43(48-44(47-42)33-23-19-30(20-24-33)41-16-8-9-27-45-41)32-21-17-29(18-22-32)34-25-26-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)40(39)28-34/h1-28,42H,(H,46,47,48)
InChIKeyCZDUNJBXNSYUIU-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.37
Rot. Bonds5

About 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine

2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 145179732) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID145179732
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)N=C(c3ccc(-c4ccccn4)cc3)N2)cc1
InChIInChI=1S/C44H30N4/c1-2-10-31(11-3-1)42-46-43(48-44(47-42)33-23-19-30(20-24-33)41-16-8-9-27-45-41)32-21-17-29(18-22-32)34-25-26-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)40(39)28-34/h1-28,42H,(H,46,47,48)
InChIKeyCZDUNJBXNSYUIU-UHFFFAOYSA-N
XLogP10.37
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-5-triphenylen-2-ylbenzonitrile
CID 165010205
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4,6-diphenyl-2-[3-[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]phenyl]-1,2-dihydro-1,3,5-triazine
CID 164569224
4-dibenzothiophen-3-yl-2-phenyl-6-(3-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167233632
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2-[(E)-2-(4-phenylphenyl)prop-1-enyl]-5-[4-[2-phenyl-6-(3-pyridin-2-ylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]aniline
CID 142621951
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
4-[3-[4-phenyl-6-[4-(10-phenylphenanthren-9-yl)phenyl]-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 153394368
1-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-8-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridine
CID 155327328

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine (CID 145179732) is 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)N=C(c3ccc(-c4ccccn4)cc3)N2)cc1.
What is the InChIKey of 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is CZDUNJBXNSYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-2-10-31(11-3-1)42-46-43(48-44(47-42)33-23-19-30(20-24-33)41-16-8-9-27-45-41)32-21-17-29(18-22-32)34-25-26-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)40(39)28-34/h1-28,42H,(H,46,47,48).
What are the key properties of 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine?
2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 614.75 g/mol, XLogP of 10.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(4-pyridin-2-ylphenyl)-4-(4-triphenylen-2-ylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 145179732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).