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

C50H31N5S — CID 146226846

IUPAC5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C50H31N5S/c1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-7-10-24-40(38)53(42)34-19-13-20-35(31-34)54-41-25-11-8-23-39(41)47-44(54)30-29-37-36-21-9-12-28-45(36)56-48(37)47/h1-31H
InChIKeyHZNMZHLHJJIABW-UHFFFAOYSA-N
MW733.90 g/mol
LogP13.16
Rot. Bonds5

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

5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146226846) has the molecular formula C50H31N5S and a molecular weight of 733.90 g/mol. Its IUPAC name is 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID146226846
Molecular FormulaC50H31N5S
Molecular Weight733.90 g/mol
Exact Mass733.23
IUPAC Name5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C50H31N5S/c1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-7-10-24-40(38)53(42)34-19-13-20-35(31-34)54-41-25-11-8-23-39(41)47-44(54)30-29-37-36-21-9-12-28-45(36)56-48(37)47/h1-31H
InChIKeyHZNMZHLHJJIABW-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-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
5-[3-[6-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118939041
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
[3-[4-(2-dibenzothiophen-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588373
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
5-(2,3-diphenylquinoxalin-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 138467912
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
5-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154692
5-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
3-carbazol-9-yl-2-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)aniline
CID 165023342
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 146226846) is 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2cccc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is HZNMZHLHJJIABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5S/c1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)55(49)43-27-14-26-42-46(43)38-22-7-10-24-40(38)53(42)34-19-13-20-35(31-34)54-41-25-11-8-23-39(41)47-44(54)30-29-37-36-21-9-12-28-45(36)56-48(37)47/h1-31H.
What are the key properties of 5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
5-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-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-[3-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146226846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).