2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

C58H47N7 — CID 145096754

IUPAC2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)c1cc(-c2cccc(-c3ccncc3)c2)cc(-c2cccc(-c3ccncc3)c2)c1.CCc1nc(-c2cccc(-c3ccncc3)c2)nc(-c2cccc(-c3ccncc3)c2)n1
InChIInChI=1S/C31H26N2.C27H21N5/c1-22(2)29-19-30(27-7-3-5-25(17-27)23-9-13-32-14-10-23)21-31(20-29)28-8-4-6-26(18-28)24-11-15-33-16-12-24;1-2-25-30-26(23-7-3-5-21(17-23)19-9-13-28-14-10-19)32-27(31-25)24-8-4-6-22(18-24)20-11-15-29-16-12-20/h3-22H,1-2H3;3-18H,2H2,1H3
InChIKeyMMHVALLJQNLROM-UHFFFAOYSA-N
MW842.06 g/mol
LogP14.16
Rot. Bonds10

About 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 145096754) has the molecular formula C58H47N7 and a molecular weight of 842.06 g/mol. Its IUPAC name is 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
PubChem CID145096754
Molecular FormulaC58H47N7
Molecular Weight842.06 g/mol
Exact Mass841.39
IUPAC Name2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCC(C)c1cc(-c2cccc(-c3ccncc3)c2)cc(-c2cccc(-c3ccncc3)c2)c1.CCc1nc(-c2cccc(-c3ccncc3)c2)nc(-c2cccc(-c3ccncc3)c2)n1
InChIInChI=1S/C31H26N2.C27H21N5/c1-22(2)29-19-30(27-7-3-5-25(17-27)23-9-13-32-14-10-23)21-31(20-29)28-8-4-6-26(18-28)24-11-15-33-16-12-24;1-2-25-30-26(23-7-3-5-21(17-23)19-9-13-28-14-10-19)32-27(31-25)24-8-4-6-22(18-24)20-11-15-29-16-12-20/h3-22H,1-2H3;3-18H,2H2,1H3
InChIKeyMMHVALLJQNLROM-UHFFFAOYSA-N
XLogP14.16
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

2-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 176843141
2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-6-propan-2-yl-1,3,5-triazine
CID 176842945
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2,4-diphenyl-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 167534445
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (CID 145096754) is 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is CC(C)c1cc(-c2cccc(-c3ccncc3)c2)cc(-c2cccc(-c3ccncc3)c2)c1.CCc1nc(-c2cccc(-c3ccncc3)c2)nc(-c2cccc(-c3ccncc3)c2)n1.
What is the InChIKey of 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is MMHVALLJQNLROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2.C27H21N5/c1-22(2)29-19-30(27-7-3-5-25(17-27)23-9-13-32-14-10-23)21-31(20-29)28-8-4-6-26(18-28)24-11-15-33-16-12-24;1-2-25-30-26(23-7-3-5-21(17-23)19-9-13-28-14-10-19)32-27(31-25)24-8-4-6-22(18-24)20-11-15-29-16-12-20/h3-22H,1-2H3;3-18H,2H2,1H3.
What are the key properties of 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 842.06 g/mol, XLogP of 14.16, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;4-[3-[3-propan-2-yl-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 145096754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).