3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C93H65N9 — CID 165040763

IUPAC3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)n1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc6ccccc6c(-c6ccccc6)n5)cc4)n3)cc2)cc1
InChIInChI=1S/C48H32N4.C45H33N5/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)46-50-47(40-28-22-36(23-29-40)34-14-6-2-7-15-34)52-48(51-46)41-30-24-37(25-31-41)44-32-42-18-10-11-19-43(42)45(49-44)38-16-8-3-9-17-38;1-30-29-31(2)47-42(46-30)38-21-17-36(18-22-38)37-19-27-41(28-20-37)45-49-43(39-23-13-34(14-24-39)32-9-5-3-6-10-32)48-44(50-45)40-25-15-35(16-26-40)33-11-7-4-8-12-33/h1-32H;3-29H,1-2H3
InChIKeyOBZTYVFXKTUTIR-UHFFFAOYSA-N
MW1308.61 g/mol
LogP23.04
Rot. Bonds14

About 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 165040763) has the molecular formula C93H65N9 and a molecular weight of 1308.61 g/mol. Its IUPAC name is 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID165040763
Molecular FormulaC93H65N9
Molecular Weight1308.61 g/mol
Exact Mass1307.54
IUPAC Name3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(C)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)n1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc6ccccc6c(-c6ccccc6)n5)cc4)n3)cc2)cc1
InChIInChI=1S/C48H32N4.C45H33N5/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)46-50-47(40-28-22-36(23-29-40)34-14-6-2-7-15-34)52-48(51-46)41-30-24-37(25-31-41)44-32-42-18-10-11-19-43(42)45(49-44)38-16-8-3-9-17-38;1-30-29-31(2)47-42(46-30)38-21-17-36(18-22-38)37-19-27-41(28-20-37)45-49-43(39-23-13-34(14-24-39)32-9-5-3-6-10-32)48-44(50-45)40-25-15-35(16-26-40)33-11-7-4-8-12-33/h1-32H;3-29H,1-2H3
InChIKeyOBZTYVFXKTUTIR-UHFFFAOYSA-N
XLogP23.04
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.61
LogP ≤ 523.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292621
2-[3-anthracen-9-yl-5-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118895278
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 122416438
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
4,6-dimethyl-2-[3-[2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]pyrimidine
CID 166057473
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
4-methyl-6-phenanthren-9-yl-2-phenylpyrimidine
CID 146568663
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline
CID 158816777
4-anthracen-9-yl-6-[4-[4-(6-anthracen-9-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 88557909
1-(4-iodophenyl)-3-methylisoquinoline
CID 19601654
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 165040763) is 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Cc1cc(C)nc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)cc2)n1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cc6ccccc6c(-c6ccccc6)n5)cc4)n3)cc2)cc1.
What is the InChIKey of 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is OBZTYVFXKTUTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4.C45H33N5/c1-4-12-33(13-5-1)35-20-26-39(27-21-35)46-50-47(40-28-22-36(23-29-40)34-14-6-2-7-15-34)52-48(51-46)41-30-24-37(25-31-41)44-32-42-18-10-11-19-43(42)45(49-44)38-16-8-3-9-17-38;1-30-29-31(2)47-42(46-30)38-21-17-36(18-22-38)37-19-27-41(28-20-37)45-49-43(39-23-13-34(14-24-39)32-9-5-3-6-10-32)48-44(50-45)40-25-15-35(16-26-40)33-11-7-4-8-12-33/h1-32H;3-29H,1-2H3.
What are the key properties of 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1308.61 g/mol, XLogP of 23.04, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165040763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).