2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine

C43H29N5 — CID 118344700

IUPAC2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccnc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccnc5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-4-12-30(13-5-1)35-22-37(33-18-10-20-44-28-33)26-39(24-35)42-46-41(32-16-8-3-9-17-32)47-43(48-42)40-25-36(31-14-6-2-7-15-31)23-38(27-40)34-19-11-21-45-29-34/h1-29H
InChIKeyKZTAHOSLJBVIFU-UHFFFAOYSA-N
MW615.74 g/mol
LogP10.33
Rot. Bonds7

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

2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 118344700) has the molecular formula C43H29N5 and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID118344700
Molecular FormulaC43H29N5
Molecular Weight615.74 g/mol
Exact Mass615.24
IUPAC Name2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccnc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccnc5)c4)n3)c2)cc1
InChIInChI=1S/C43H29N5/c1-4-12-30(13-5-1)35-22-37(33-18-10-20-44-28-33)26-39(24-35)42-46-41(32-16-8-3-9-17-32)47-43(48-42)40-25-36(31-14-6-2-7-15-31)23-38(27-40)34-19-11-21-45-29-34/h1-29H
InChIKeyKZTAHOSLJBVIFU-UHFFFAOYSA-N
XLogP10.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-diphenylphenyl)pyridine
CID 141411458
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
2,4-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 171440364
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine (CID 118344700) is 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3cccnc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccnc5)c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is KZTAHOSLJBVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N5/c1-4-12-30(13-5-1)35-22-37(33-18-10-20-44-28-33)26-39(24-35)42-46-41(32-16-8-3-9-17-32)47-43(48-42)40-25-36(31-14-6-2-7-15-31)23-38(27-40)34-19-11-21-45-29-34/h1-29H.
What are the key properties of 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine?
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 615.74 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118344700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).