2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine

C49H35N7 — CID 129265601

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)n3)cc2)n1
InChIInChI=1S/C49H35N7/c1-32-31-33(2)53-46(52-32)40-25-27-43(28-26-40)49-55-47(41-21-13-36(14-22-41)34-9-17-38(18-10-34)44-7-3-5-29-50-44)54-48(56-49)42-23-15-37(16-24-42)35-11-19-39(20-12-35)45-8-4-6-30-51-45/h3-31H,1-2H3
InChIKeyJUTNVGRPBGPUNJ-UHFFFAOYSA-N
MW721.87 g/mol
LogP11.40
Rot. Bonds8

About 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine

2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 129265601) has the molecular formula C49H35N7 and a molecular weight of 721.87 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID129265601
Molecular FormulaC49H35N7
Molecular Weight721.87 g/mol
Exact Mass721.30
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)n3)cc2)n1
InChIInChI=1S/C49H35N7/c1-32-31-33(2)53-46(52-32)40-25-27-43(28-26-40)49-55-47(41-21-13-36(14-22-41)34-9-17-38(18-10-34)44-7-3-5-29-50-44)54-48(56-49)42-23-15-37(16-24-42)35-11-19-39(20-12-35)45-8-4-6-30-51-45/h3-31H,1-2H3
InChIKeyJUTNVGRPBGPUNJ-UHFFFAOYSA-N
XLogP11.40
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.87
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

Tt-301
CID 54576073
4-(4-Phenylphenyl)pyrimidine
CID 817541
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(pyridin-3-yl)ethyl]amine
CID 24971389
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
2-(4-tert-butylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 1185486
5-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
CID 46225710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine (CID 129265601) is 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine is Cc1cc(C)nc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)nc(-c4ccc(-c5ccc(-c6ccccn6)cc5)cc4)n3)cc2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is JUTNVGRPBGPUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N7/c1-32-31-33(2)53-46(52-32)40-25-27-43(28-26-40)49-55-47(41-21-13-36(14-22-41)34-9-17-38(18-10-34)44-7-3-5-29-50-44)54-48(56-49)42-23-15-37(16-24-42)35-11-19-39(20-12-35)45-8-4-6-30-51-45/h3-31H,1-2H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine?
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 721.87 g/mol, XLogP of 11.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-bis[4-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 129265601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).