2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

C64H36N6S2 — CID 169059812

IUPAC2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C64H36N6S2/c65-37-50-41(24-15-27-53(50)69-51-25-11-7-20-42(51)48-35-49-45-22-10-13-28-57(45)71-59(49)36-56(48)69)43-31-30-40(64-67-62(38-16-3-1-4-17-38)66-63(68-64)39-18-5-2-6-19-39)34-55(43)70-52-26-12-8-23-47(52)60-54(70)33-32-46-44-21-9-14-29-58(44)72-61(46)60/h1-36H
InChIKeyPKRZYBVLDZAVSY-UHFFFAOYSA-N
MW953.17 g/mol
LogP17.34
Rot. Bonds6

About 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 169059812) has the molecular formula C64H36N6S2 and a molecular weight of 953.17 g/mol. Its IUPAC name is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID169059812
Molecular FormulaC64H36N6S2
Molecular Weight953.17 g/mol
Exact Mass952.24
IUPAC Name2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C64H36N6S2/c65-37-50-41(24-15-27-53(50)69-51-25-11-7-20-42(51)48-35-49-45-22-10-13-28-57(45)71-59(49)36-56(48)69)43-31-30-40(64-67-62(38-16-3-1-4-17-38)66-63(68-64)39-18-5-2-6-19-39)34-55(43)70-52-26-12-8-23-47(52)60-54(70)33-32-46-44-21-9-14-29-58(44)72-61(46)60/h1-36H
InChIKeyPKRZYBVLDZAVSY-UHFFFAOYSA-N
XLogP17.34
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.17
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664694
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495517
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 172500155
9-[5-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-naphthalen-1-ylphenyl]carbazole
CID 172500215
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 160758433
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664949
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[5-[4-(5-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500399

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 169059812) is 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is N#Cc1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cccc1-n1c2ccccc2c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is PKRZYBVLDZAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6S2/c65-37-50-41(24-15-27-53(50)69-51-25-11-7-20-42(51)48-35-49-45-22-10-13-28-57(45)71-59(49)36-56(48)69)43-31-30-40(64-67-62(38-16-3-1-4-17-38)66-63(68-64)39-18-5-2-6-19-39)34-55(43)70-52-26-12-8-23-47(52)60-54(70)33-32-46-44-21-9-14-29-58(44)72-61(46)60/h1-36H.
What are the key properties of 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 953.17 g/mol, XLogP of 17.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 169059812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).