3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile

C51H30N6S — CID 161234795

IUPAC3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc5c4sc4cnccc45)cc3)n2)c1
InChIInChI=1S/C51H30N6S/c52-30-32-10-9-15-38(26-32)51-55-49(35-13-5-2-6-14-35)54-50(56-51)36-20-18-34(19-21-36)42-28-39(29-44-41-24-25-53-31-47(41)58-48(42)44)57-45-17-8-7-16-40(45)43-27-37(22-23-46(43)57)33-11-3-1-4-12-33/h1-29,31H
InChIKeyUZFPEPLKEIOPLH-UHFFFAOYSA-N
MW758.91 g/mol
LogP12.94
Rot. Bonds6

About 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile

3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 161234795) has the molecular formula C51H30N6S and a molecular weight of 758.91 g/mol. Its IUPAC name is 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
PubChem CID161234795
Molecular FormulaC51H30N6S
Molecular Weight758.91 g/mol
Exact Mass758.23
IUPAC Name3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc5c4sc4cnccc45)cc3)n2)c1
InChIInChI=1S/C51H30N6S/c52-30-32-10-9-15-38(26-32)51-55-49(35-13-5-2-6-14-35)54-50(56-51)36-20-18-34(19-21-36)42-28-39(29-44-41-24-25-53-31-47(41)58-48(42)44)57-45-17-8-7-16-40(45)43-27-37(22-23-46(43)57)33-11-3-1-4-12-33/h1-29,31H
InChIKeyUZFPEPLKEIOPLH-UHFFFAOYSA-N
XLogP12.94
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.91
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

3-[4-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 152834024
6-(3-phenylcarbazol-9-yl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-c]pyridine
CID 163786053
3-[4-[3-(3-dibenzothiophen-4-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 130231244
3-[4-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;6-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 159388759
8-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 172500242
3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile
CID 162259870
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-c]pyridine
CID 118508078
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490

Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile (CID 161234795) is 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile is N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc5c4sc4cnccc45)cc3)n2)c1.
What is the InChIKey of 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is UZFPEPLKEIOPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N6S/c52-30-32-10-9-15-38(26-32)51-55-49(35-13-5-2-6-14-35)54-50(56-51)36-20-18-34(19-21-36)42-28-39(29-44-41-24-25-53-31-47(41)58-48(42)44)57-45-17-8-7-16-40(45)43-27-37(22-23-46(43)57)33-11-3-1-4-12-33/h1-29,31H.
What are the key properties of 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile?
3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 758.91 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-6-[4-[6-(3-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]phenyl]-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 161234795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).