2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine

C52H34N8 — CID 147873998

IUPAC2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)n4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N8/c1-4-14-35(15-5-1)37-22-26-39(27-23-37)45-34-48(57-49(56-45)41-28-24-38(25-29-41)36-16-6-2-7-17-36)52-59-50(40-18-8-3-9-19-40)58-51(60-52)42-32-46(43-20-10-12-30-53-43)55-47(33-42)44-21-11-13-31-54-44/h1-34H
InChIKeyHZDQNLMBTXFQCN-UHFFFAOYSA-N
MW770.90 g/mol
LogP11.85
Rot. Bonds9

About 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine

2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine (PubChem CID 147873998) has the molecular formula C52H34N8 and a molecular weight of 770.90 g/mol. Its IUPAC name is 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine
PubChem CID147873998
Molecular FormulaC52H34N8
Molecular Weight770.90 g/mol
Exact Mass770.29
IUPAC Name2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)n4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C52H34N8/c1-4-14-35(15-5-1)37-22-26-39(27-23-37)45-34-48(57-49(56-45)41-28-24-38(25-29-41)36-16-6-2-7-17-36)52-59-50(40-18-8-3-9-19-40)58-51(60-52)42-32-46(43-20-10-12-30-53-43)55-47(33-42)44-21-11-13-31-54-44/h1-34H
InChIKeyHZDQNLMBTXFQCN-UHFFFAOYSA-N
XLogP11.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.90
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

Tt-301
CID 54576073
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
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
5-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]pyridine-2-carboximidamide
CID 46225710
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
7-(4-Pyrimidin-5-yl-phenyl)-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10293769
N,N-dimethyl-2-(4-{7-[4-({4-[5-(1-oxidopyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl}piperazin-1-yl)ethanamine
CID 11672049

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine (CID 147873998) is 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)n4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine?
The InChIKey is HZDQNLMBTXFQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N8/c1-4-14-35(15-5-1)37-22-26-39(27-23-37)45-34-48(57-49(56-45)41-28-24-38(25-29-41)36-16-6-2-7-17-36)52-59-50(40-18-8-3-9-19-40)58-51(60-52)42-32-46(43-20-10-12-30-53-43)55-47(33-42)44-21-11-13-31-54-44/h1-34H.
What are the key properties of 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine?
2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine has a molecular weight of 770.90 g/mol, XLogP of 11.85, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-4-(2,6-dipyridin-2-yl-4-pyridinyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 147873998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).