2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C42H32N4 — CID 163666598

IUPAC2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C3Cc4ccccc4-c4ccccc43)c2)c(C)n1
InChIInChI=1S/C42H32N4/c1-27-21-22-35(28(2)43-27)32-23-33(39-26-31-17-9-10-18-36(31)37-19-11-12-20-38(37)39)25-34(24-32)42-45-40(29-13-5-3-6-14-29)44-41(46-42)30-15-7-4-8-16-30/h3-25,39H,26H2,1-2H3
InChIKeyIYZZUHLTYIGYAY-UHFFFAOYSA-N
MW592.75 g/mol
LogP9.91
Rot. Bonds5

About 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163666598) has the molecular formula C42H32N4 and a molecular weight of 592.75 g/mol. Its IUPAC name is 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID163666598
Molecular FormulaC42H32N4
Molecular Weight592.75 g/mol
Exact Mass592.26
IUPAC Name2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C3Cc4ccccc4-c4ccccc43)c2)c(C)n1
InChIInChI=1S/C42H32N4/c1-27-21-22-35(28(2)43-27)32-23-33(39-26-31-17-9-10-18-36(31)37-19-11-12-20-38(37)39)25-34(24-32)42-45-40(29-13-5-3-6-14-29)44-41(46-42)30-15-7-4-8-16-30/h3-25,39H,26H2,1-2H3
InChIKeyIYZZUHLTYIGYAY-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(9,10-dihydrophenanthren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylquinoxaline
CID 131965734
5-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 159356699
3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 164780984
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 126728057
7-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 171421657
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 170118120
2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenylpyrimidine
CID 176622520
5-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 153310178
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
2-[4-(3,5-ditert-butylphenyl)phenyl]-4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159606604
2-[3-[3-[4-[cyclohepta-1,6-dien-1-yl(diphenyl)methyl]phenyl]phenyl]-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163851877

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 163666598) is 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C3Cc4ccccc4-c4ccccc43)c2)c(C)n1.
What is the InChIKey of 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IYZZUHLTYIGYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4/c1-27-21-22-35(28(2)43-27)32-23-33(39-26-31-17-9-10-18-36(31)37-19-11-12-20-38(37)39)25-34(24-32)42-45-40(29-13-5-3-6-14-29)44-41(46-42)30-15-7-4-8-16-30/h3-25,39H,26H2,1-2H3.
What are the key properties of 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 592.75 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,10-dihydrophenanthren-9-yl)-5-(2,6-dimethyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163666598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).