4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile

C169H104N16S4 — CID 159528396

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc21.N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C49H32N4S.C46H28N4S.C40H24N4S.C34H20N4S/c1-49(2)42-25-30(29-50)17-23-37(42)38-24-22-35(28-43(38)49)36-26-40(45-41(27-36)39-15-9-10-16-44(39)54-45)31-18-20-34(21-19-31)48-52-46(32-11-5-3-6-12-32)51-47(53-48)33-13-7-4-8-14-33;47-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-40(43-41(28-38)39-13-7-8-14-42(39)51-43)34-23-25-37(26-24-34)46-49-44(35-9-3-1-4-10-35)48-45(50-46)36-11-5-2-6-12-36;41-25-26-15-17-28(18-16-26)36-32(23-24-34-33-13-7-8-14-35(33)45-37(34)36)27-19-21-31(22-20-27)40-43-38(29-9-3-1-4-10-29)42-39(44-40)30-11-5-2-6-12-30;35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h3-28H,1-2H3;1-28H;1-24H;1-20H
InChIKeyMCRFGYKZOFAQTI-UHFFFAOYSA-N
MW2487.07 g/mol
LogP44.09
Rot. Bonds20

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile (PubChem CID 159528396) has the molecular formula C169H104N16S4 and a molecular weight of 2487.07 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile
PubChem CID159528396
Molecular FormulaC169H104N16S4
Molecular Weight2487.07 g/mol
Exact Mass2484.75
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc21.N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C49H32N4S.C46H28N4S.C40H24N4S.C34H20N4S/c1-49(2)42-25-30(29-50)17-23-37(42)38-24-22-35(28-43(38)49)36-26-40(45-41(27-36)39-15-9-10-16-44(39)54-45)31-18-20-34(21-19-31)48-52-46(32-11-5-3-6-12-32)51-47(53-48)33-13-7-4-8-14-33;47-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-40(43-41(28-38)39-13-7-8-14-42(39)51-43)34-23-25-37(26-24-34)46-49-44(35-9-3-1-4-10-35)48-45(50-46)36-11-5-2-6-12-36;41-25-26-15-17-28(18-16-26)36-32(23-24-34-33-13-7-8-14-35(33)45-37(34)36)27-19-21-31(22-20-27)40-43-38(29-9-3-1-4-10-29)42-39(44-40)30-11-5-2-6-12-30;35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h3-28H,1-2H3;1-28H;1-24H;1-20H
InChIKeyMCRFGYKZOFAQTI-UHFFFAOYSA-N
XLogP44.09
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002487.07
LogP ≤ 544.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile with MolForge

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile
CID 139381470
4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]benzonitrile
CID 139381762
7-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421756
2-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 153284115
7-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-2-carbonitrile;methane
CID 160828918
9,9-dimethyl-7-(14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)fluorene-2-carbonitrile
CID 129119500
4-(4-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158660476
2-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenylpyrimidine
CID 149123811
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
7-[3-([1]benzothiolo[3,2-b]pyridin-3-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171422017
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585532
4-[3-dibenzothiophen-4-yl-5-(4-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171583842

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile (CID 159528396) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc21.N#Cc1ccc(-c2c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc3c2sc2ccccc23)cc1.N#Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile?
The InChIKey is MCRFGYKZOFAQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S.C46H28N4S.C40H24N4S.C34H20N4S/c1-49(2)42-25-30(29-50)17-23-37(42)38-24-22-35(28-43(38)49)36-26-40(45-41(27-36)39-15-9-10-16-44(39)54-45)31-18-20-34(21-19-31)48-52-46(32-11-5-3-6-12-32)51-47(53-48)33-13-7-4-8-14-33;47-29-30-15-17-31(18-16-30)32-19-21-33(22-20-32)38-27-40(43-41(28-38)39-13-7-8-14-42(39)51-43)34-23-25-37(26-24-34)46-49-44(35-9-3-1-4-10-35)48-45(50-46)36-11-5-2-6-12-36;41-25-26-15-17-28(18-16-26)36-32(23-24-34-33-13-7-8-14-35(33)45-37(34)36)27-19-21-31(22-20-27)40-43-38(29-9-3-1-4-10-29)42-39(44-40)30-11-5-2-6-12-30;35-21-22-15-17-23(18-16-22)30-28(20-19-27-26-13-7-8-14-29(26)39-31(27)30)34-37-32(24-9-3-1-4-10-24)36-33(38-34)25-11-5-2-6-12-25/h3-28H,1-2H3;1-28H;1-24H;1-20H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile has a molecular weight of 2487.07 g/mol, XLogP of 44.09, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzonitrile;4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]benzonitrile;7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9,9-dimethylfluorene-2-carbonitrile;4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 159528396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).