4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine

C45H29N3 — CID 130264541

IUPAC4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C45H29N3/c1-2-11-31(12-3-1)43-28-44(41-19-9-4-14-35(41)34-13-10-26-46-29-34)48-45(47-43)32-22-20-30(21-23-32)33-24-25-40-38-17-6-5-15-36(38)37-16-7-8-18-39(37)42(40)27-33/h1-29H
InChIKeyBDNPZVQXPYTWBU-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.67
Rot. Bonds5

About 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine

4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 130264541) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
PubChem CID130264541
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C45H29N3/c1-2-11-31(12-3-1)43-28-44(41-19-9-4-14-35(41)34-13-10-26-46-29-34)48-45(47-43)32-22-20-30(21-23-32)33-24-25-40-38-17-6-5-15-36(38)37-16-7-8-18-39(37)42(40)27-33/h1-29H
InChIKeyBDNPZVQXPYTWBU-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130268379
2,4-diphenyl-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 167597427
4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)-2-triphenylen-2-ylpyrimidine
CID 121477401
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
4-(4-naphthalen-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 121477553
4,6-diphenyl-2-(2-triphenylen-2-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[3-pyridin-3-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine;4-[3-pyridin-4-yl-5-(2-triphenylen-2-ylphenyl)phenyl]pyridine
CID 159685802
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-pyridin-3-yl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130268317
4,6-diphenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;2,6-dipyridin-3-yl-4-[3-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 157417674
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]pyrimidine
CID 165168520
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
2-[3-(12-naphthalen-1-ylchrysen-6-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 118313938
4-(4-phenanthren-9-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477583

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The IUPAC name of 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine (CID 130264541) is 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The InChIKey is BDNPZVQXPYTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-11-31(12-3-1)43-28-44(41-19-9-4-14-35(41)34-13-10-26-46-29-34)48-45(47-43)32-22-20-30(21-23-32)33-24-25-40-38-17-6-5-15-36(38)37-16-7-8-18-39(37)42(40)27-33/h1-29H.
What are the key properties of 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine?
4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 611.75 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(2-pyridin-3-ylphenyl)-2-(4-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 130264541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).