5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

C50H31N5S — CID 146226902

IUPAC5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5S/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H
InChIKeyCLTPQCWTUGEMGZ-UHFFFAOYSA-N
MW733.90 g/mol
LogP13.16
Rot. Bonds5

About 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146226902) has the molecular formula C50H31N5S and a molecular weight of 733.90 g/mol. Its IUPAC name is 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID146226902
Molecular FormulaC50H31N5S
Molecular Weight733.90 g/mol
Exact Mass733.23
IUPAC Name5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5S/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H
InChIKeyCLTPQCWTUGEMGZ-UHFFFAOYSA-N
XLogP13.16
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.90
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 146226846
5-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-[1]benzothiolo[3,2-c]carbazole
CID 139396945
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
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
3-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-yl-3-cyanophenyl)benzonitrile
CID 129300159
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291254
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
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 146226902) is 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c34)c2-c2ccccc2)cc1.
What is the InChIKey of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is CLTPQCWTUGEMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5S/c1-3-16-32(17-4-1)47-48(33-18-5-2-6-19-33)55(52-51-47)44-28-15-23-36-34-20-7-10-24-39(34)54(49(36)44)42-27-13-12-26-41(42)53-40-25-11-8-22-38(40)46-43(53)31-30-37-35-21-9-14-29-45(35)56-50(37)46/h1-31H.
What are the key properties of 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 733.90 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146226902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).