4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile

C50H35N7 — CID 163672224

IUPAC4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
SMILESCN1C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=NC(c2ccc(C#N)cc2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H35N7/c1-57-49(55-48(40-22-20-34(33-51)21-23-40)56-50(57)44-19-11-18-43(32-44)35-12-5-2-6-13-35)42-30-26-37(27-31-42)36-24-28-41(29-25-36)47-53-45(38-14-7-3-8-15-38)52-46(54-47)39-16-9-4-10-17-39/h2-32,50H,1H3
InChIKeyJDOBXWWJNOOSGQ-UHFFFAOYSA-N
MW733.88 g/mol
LogP10.92
Rot. Bonds8

About 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile

4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile (PubChem CID 163672224) has the molecular formula C50H35N7 and a molecular weight of 733.88 g/mol. Its IUPAC name is 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
PubChem CID163672224
Molecular FormulaC50H35N7
Molecular Weight733.88 g/mol
Exact Mass733.30
IUPAC Name4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
SMILESCN1C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=NC(c2ccc(C#N)cc2)=NC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H35N7/c1-57-49(55-48(40-22-20-34(33-51)21-23-40)56-50(57)44-19-11-18-43(32-44)35-12-5-2-6-13-35)42-30-26-37(27-31-42)36-24-28-41(29-25-36)47-53-45(38-14-7-3-8-15-38)52-46(54-47)39-16-9-4-10-17-39/h2-32,50H,1H3
InChIKeyJDOBXWWJNOOSGQ-UHFFFAOYSA-N
XLogP10.92
TPSA90.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.88
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile with MolForge

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Related Compounds

2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
4-[3-(4-cyanophenyl)-5-[9,9-difluoro-7-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)fluoren-2-yl]phenyl]benzonitrile
CID 135247155
3-[4-[8-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 142425096
2-[4-[4-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 146647308
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
4-[4-(4-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 140889097
4-[3-[4-phenyl-6-[4-(10-phenylphenanthren-9-yl)phenyl]-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 153394368
4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-phenyl-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-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 165150656

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile?
The IUPAC name of 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile (CID 163672224) is 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile is CN1C(c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc2)=NC(c2ccc(C#N)cc2)=NC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile?
The InChIKey is JDOBXWWJNOOSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N7/c1-57-49(55-48(40-22-20-34(33-51)21-23-40)56-50(57)44-19-11-18-43(32-44)35-12-5-2-6-13-35)42-30-26-37(27-31-42)36-24-28-41(29-25-36)47-53-45(38-14-7-3-8-15-38)52-46(54-47)39-16-9-4-10-17-39/h2-32,50H,1H3.
What are the key properties of 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile?
4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile has a molecular weight of 733.88 g/mol, XLogP of 10.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile is sourced from PubChem (CID 163672224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).