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

C65H35N7S2 — CID 170664949

IUPAC3-([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
SMILESN#Cc1ccccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1nc(-c2ccccc2)nc(-c2c(C#N)cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)n1
InChIInChI=1S/C65H35N7S2/c66-36-39-18-4-5-20-41(39)44-25-15-29-52(72-50-27-11-7-24-48(50)59-54(72)35-33-46-43-22-9-13-31-56(43)74-62(46)59)60(44)65-69-63(38-16-2-1-3-17-38)68-64(70-65)57-40(37-67)19-14-28-51(57)71-49-26-10-6-23-47(49)58-53(71)34-32-45-42-21-8-12-30-55(42)73-61(45)58/h1-35H
InChIKeyAJBIVZYEDMHDGH-UHFFFAOYSA-N
MW978.18 g/mol
LogP17.21
Rot. Bonds6

About 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

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 (PubChem CID 170664949) has the molecular formula C65H35N7S2 and a molecular weight of 978.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-([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
PubChem CID170664949
Molecular FormulaC65H35N7S2
Molecular Weight978.18 g/mol
Exact Mass977.24
IUPAC Name3-([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
SMILESN#Cc1ccccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1nc(-c2ccccc2)nc(-c2c(C#N)cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)n1
InChIInChI=1S/C65H35N7S2/c66-36-39-18-4-5-20-41(39)44-25-15-29-52(72-50-27-11-7-24-48(50)59-54(72)35-33-46-43-22-9-13-31-56(43)74-62(46)59)60(44)65-69-63(38-16-2-1-3-17-38)68-64(70-65)57-40(37-67)19-14-28-51(57)71-49-26-10-6-23-47(49)58-53(71)34-32-45-42-21-8-12-30-55(42)73-61(45)58/h1-35H
InChIKeyAJBIVZYEDMHDGH-UHFFFAOYSA-N
XLogP17.21
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.18
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 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-([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
5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155462894
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(2-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 174170172
4,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-2-phenylpyrimidine-5-carbonitrile
CID 163512042
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664858
3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile
CID 172500121
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
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291254
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 122435836
2-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300211

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccccc1-c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1nc(-c2ccccc2)nc(-c2c(C#N)cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)n1.
What is the InChIKey of 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?
The InChIKey is AJBIVZYEDMHDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H35N7S2/c66-36-39-18-4-5-20-41(39)44-25-15-29-52(72-50-27-11-7-24-48(50)59-54(72)35-33-46-43-22-9-13-31-56(43)74-62(46)59)60(44)65-69-63(38-16-2-1-3-17-38)68-64(70-65)57-40(37-67)19-14-28-51(57)71-49-26-10-6-23-47(49)58-53(71)34-32-45-42-21-8-12-30-55(42)73-61(45)58/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 978.18 g/mol, XLogP of 17.21, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170664949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).