2-(3-triphenylen-2-ylphenyl)pyrimidine

C28H18N2 — CID 158485358

IUPAC2-(3-triphenylen-2-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1
InChIInChI=1S/C28H18N2/c1-2-11-24-22(9-1)23-10-3-4-12-25(23)27-18-20(13-14-26(24)27)19-7-5-8-21(17-19)28-29-15-6-16-30-28/h1-18H
InChIKeyHIAJZMXRZCLRJA-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 2-(3-triphenylen-2-ylphenyl)pyrimidine

2-(3-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 158485358) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(3-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(3-triphenylen-2-ylphenyl)pyrimidine
PubChem CID158485358
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name2-(3-triphenylen-2-ylphenyl)pyrimidine
SMILESc1cnc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1
InChIInChI=1S/C28H18N2/c1-2-11-24-22(9-1)23-10-3-4-12-25(23)27-18-20(13-14-26(24)27)19-7-5-8-21(17-19)28-29-15-6-16-30-28/h1-18H
InChIKeyHIAJZMXRZCLRJA-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
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-(3-pyrimidin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167637
4-(3-phenylphenyl)-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 137389682
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2,4-dipyridin-4-yl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 118014097
2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
4-(3-triphenylen-2-ylphenyl)-3,5,18-triazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 158630477
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671

Frequently Asked Questions

What is the IUPAC name of 2-(3-triphenylen-2-ylphenyl)pyrimidine?
The IUPAC name of 2-(3-triphenylen-2-ylphenyl)pyrimidine (CID 158485358) is 2-(3-triphenylen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(3-triphenylen-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-(3-triphenylen-2-ylphenyl)pyrimidine is c1cnc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)nc1.
What is the InChIKey of 2-(3-triphenylen-2-ylphenyl)pyrimidine?
The InChIKey is HIAJZMXRZCLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-11-24-22(9-1)23-10-3-4-12-25(23)27-18-20(13-14-26(24)27)19-7-5-8-21(17-19)28-29-15-6-16-30-28/h1-18H.
What are the key properties of 2-(3-triphenylen-2-ylphenyl)pyrimidine?
2-(3-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 158485358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).