2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

C39H25N7 — CID 59273746

IUPAC2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C39H25N7/c1-2-10-29-25-30(22-19-26(29)9-1)27-17-20-28(21-18-27)37-44-38(35-15-7-13-33(42-35)31-11-3-5-23-40-31)46-39(45-37)36-16-8-14-34(43-36)32-12-4-6-24-41-32/h1-25H
InChIKeyIQAOLSAYLYLBCT-UHFFFAOYSA-N
MW591.68 g/mol
LogP8.61
Rot. Bonds6

About 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine

2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 59273746) has the molecular formula C39H25N7 and a molecular weight of 591.68 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID59273746
Molecular FormulaC39H25N7
Molecular Weight591.68 g/mol
Exact Mass591.22
IUPAC Name2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C39H25N7/c1-2-10-29-25-30(22-19-26(29)9-1)27-17-20-28(21-18-27)37-44-38(35-15-7-13-33(42-35)31-11-3-5-23-40-31)46-39(45-37)36-16-8-14-34(43-36)32-12-4-6-24-41-32/h1-25H
InChIKeyIQAOLSAYLYLBCT-UHFFFAOYSA-N
XLogP8.61
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.68
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2-(4-bromophenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 101456405
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 90361875
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 122543044
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 170928036
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-pyridin-2-ylquinolin-6-yl)quinoline
CID 129208720
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2,4,6-tris[3-(6-pyridin-2-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 58090473
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine (CID 59273746) is 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc6ccccc6c5)cc4)nc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is IQAOLSAYLYLBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N7/c1-2-10-29-25-30(22-19-26(29)9-1)27-17-20-28(21-18-27)37-44-38(35-15-7-13-33(42-35)31-11-3-5-23-40-31)46-39(45-37)36-16-8-14-34(43-36)32-12-4-6-24-41-32/h1-25H.
What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine?
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 591.68 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 59273746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).