2,4-diphenylpyrimidine;triphenylene

C34H24N2 — CID 175536318

IUPAC2,4-diphenylpyrimidine;triphenylene
SMILESc1ccc(-c2ccnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C16H12N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14/h2*1-12H
InChIKeyZWAXCGABGLDDJV-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.96
Rot. Bonds2

About 2,4-diphenylpyrimidine;triphenylene

2,4-diphenylpyrimidine;triphenylene (PubChem CID 175536318) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2,4-diphenylpyrimidine;triphenylene.

Molecular Properties

Compound Name2,4-diphenylpyrimidine;triphenylene
PubChem CID175536318
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2,4-diphenylpyrimidine;triphenylene
SMILESc1ccc(-c2ccnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C16H12N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14/h2*1-12H
InChIKeyZWAXCGABGLDDJV-UHFFFAOYSA-N
XLogP8.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
[4-(2-phenylpyrimidin-4-yl)phenyl]methanamine;hydrochloride
CID 82021904
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811
2-fluoranthen-3-yl-4-phenylpyrimidine
CID 121287536
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 159839509
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylpyrimidine;triphenylene?
The IUPAC name of 2,4-diphenylpyrimidine;triphenylene (CID 175536318) is 2,4-diphenylpyrimidine;triphenylene.
What is the SMILES notation for 2,4-diphenylpyrimidine;triphenylene?
The canonical SMILES for 2,4-diphenylpyrimidine;triphenylene is c1ccc(-c2ccnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of 2,4-diphenylpyrimidine;triphenylene?
The InChIKey is ZWAXCGABGLDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C16H12N2/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-13(8-4-1)15-11-12-17-16(18-15)14-9-5-2-6-10-14/h2*1-12H.
What are the key properties of 2,4-diphenylpyrimidine;triphenylene?
2,4-diphenylpyrimidine;triphenylene has a molecular weight of 460.58 g/mol, XLogP of 8.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylpyrimidine;triphenylene is sourced from PubChem (CID 175536318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).