4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine

C34H22N2 — CID 137389670

IUPAC4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1
InChIInChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26/h1-22H
InChIKeyLXYLUTVOCPWLQI-UHFFFAOYSA-N
MW458.56 g/mol
LogP8.94
Rot. Bonds3

About 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine

4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine (PubChem CID 137389670) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
PubChem CID137389670
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1
InChIInChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26/h1-22H
InChIKeyLXYLUTVOCPWLQI-UHFFFAOYSA-N
XLogP8.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.94
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

4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 134179987
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;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
CID 165108253
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
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
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;2,4-diphenyl-6-triphenylen-2-ylpyrimidine;4,6-diphenyl-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;2-(3-phenylphenyl)-4-triphenylen-2-yl-1,3,5-triazine
CID 162018745
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
3-(3-triphenylen-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575305
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine;2-(3-phenylphenyl)-4-[3-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 162076770
4-(3-phenylphenyl)-2-(2-triphenylen-2-ylphenyl)pyrimidine;4-(3-phenylphenyl)-6-(2-triphenylen-2-ylphenyl)pyrimidine;2-(3-phenylphenyl)-4-(2-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 160868917

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine?
The IUPAC name of 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine (CID 137389670) is 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine.
What is the SMILES notation for 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine?
The canonical SMILES for 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ncn3)c2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine?
The InChIKey is LXYLUTVOCPWLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-9-23(10-3-1)24-11-8-12-25(19-24)33-21-34(36-22-35-33)26-17-18-31-29-15-5-4-13-27(29)28-14-6-7-16-30(28)32(31)20-26/h1-22H.
What are the key properties of 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine?
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine has a molecular weight of 458.56 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine is sourced from PubChem (CID 137389670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).