2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine

C47H34N4 — CID 139518038

IUPAC2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESC=CCc1cccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C47H34N4/c1-2-15-33-16-14-23-37(26-33)41-28-40(36-21-10-5-11-22-36)31-43(32-41)46-49-45(50-47(51-46)44-24-12-13-25-48-44)42-29-38(34-17-6-3-7-18-34)27-39(30-42)35-19-8-4-9-20-35/h2-14,16-32H,1,15H2
InChIKeyHQSUDBRULLGGNT-UHFFFAOYSA-N
MW654.82 g/mol
LogP11.66
Rot. Bonds9

About 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine

2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 139518038) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
PubChem CID139518038
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine
SMILESC=CCc1cccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)c1
InChIInChI=1S/C47H34N4/c1-2-15-33-16-14-23-37(26-33)41-28-40(36-21-10-5-11-22-36)31-43(32-41)46-49-45(50-47(51-46)44-24-12-13-25-48-44)42-29-38(34-17-6-3-7-18-34)27-39(30-42)35-19-8-4-9-20-35/h2-14,16-32H,1,15H2
InChIKeyHQSUDBRULLGGNT-UHFFFAOYSA-N
XLogP11.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2,4-diphenyl-6-[4-[3-phenyl-5-[4-(4-prop-2-enylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 139518001
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
3-prop-2-enyl-5-pyridin-2-ylpyridine
CID 91804933
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
CID 165150820
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine (CID 139518038) is 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine is C=CCc1cccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccccn4)n3)c2)c1.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is HQSUDBRULLGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-2-15-33-16-14-23-37(26-33)41-28-40(36-21-10-5-11-22-36)31-43(32-41)46-49-45(50-47(51-46)44-24-12-13-25-48-44)42-29-38(34-17-6-3-7-18-34)27-39(30-42)35-19-8-4-9-20-35/h2-14,16-32H,1,15H2.
What are the key properties of 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine?
2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 654.82 g/mol, XLogP of 11.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-[3-phenyl-5-(3-prop-2-enylphenyl)phenyl]-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 139518038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).