5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

C156H98N16S2 — CID 157343937

IUPAC5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c23)cc1
InChIInChI=1S/C56H36N6.2C50H31N5S/c1-4-19-37(20-5-1)55-57-58-56(38-21-6-2-7-22-38)62(55)50-34-18-33-49-52(50)42-26-11-14-29-45(42)60(49)47-31-16-17-32-48(47)61-46-30-15-12-27-43(46)53-51(61)36-35-41-40-25-10-13-28-44(40)59(54(41)53)39-23-8-3-9-24-39;1-3-16-32(17-4-1)49-51-52-50(33-18-5-2-6-19-33)55(49)44-28-15-23-36-34-20-7-10-24-39(34)54(47(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)56-48(37)46;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)53(49)34-27-28-36-35-19-7-10-22-40(35)55(45(36)31-34)43-25-13-12-24-42(43)54-41-23-11-8-21-39(41)47-44(54)30-29-38-37-20-9-14-26-46(37)56-48(38)47/h1-36H;2*1-31H
InChIKeyBGSORRZDYJMOLE-UHFFFAOYSA-N
MW2260.75 g/mol
LogP40.22
Rot. Bonds16

About 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 157343937) has the molecular formula C156H98N16S2 and a molecular weight of 2260.75 g/mol. Its IUPAC name is 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID157343937
Molecular FormulaC156H98N16S2
Molecular Weight2260.75 g/mol
Exact Mass2258.76
IUPAC Name5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c23)cc1
InChIInChI=1S/C56H36N6.2C50H31N5S/c1-4-19-37(20-5-1)55-57-58-56(38-21-6-2-7-22-38)62(55)50-34-18-33-49-52(50)42-26-11-14-29-45(42)60(49)47-31-16-17-32-48(47)61-46-30-15-12-27-43(46)53-51(61)36-35-41-40-25-10-13-28-44(40)59(54(41)53)39-23-8-3-9-24-39;1-3-16-32(17-4-1)49-51-52-50(33-18-5-2-6-19-33)55(49)44-28-15-23-36-34-20-7-10-24-39(34)54(47(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)56-48(37)46;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)53(49)34-27-28-36-35-19-7-10-22-40(35)55(45(36)31-34)43-25-13-12-24-42(43)54-41-23-11-8-21-39(41)47-44(54)30-29-38-37-20-9-14-26-46(37)56-48(38)47/h1-36H;2*1-31H
InChIKeyBGSORRZDYJMOLE-UHFFFAOYSA-N
XLogP40.22
TPSA126.64 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.75
LogP ≤ 540.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 157343937) is 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3c2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c2c2ccccc2n3-c2ccccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c23)cc1.
What is the InChIKey of 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is BGSORRZDYJMOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.2C50H31N5S/c1-4-19-37(20-5-1)55-57-58-56(38-21-6-2-7-22-38)62(55)50-34-18-33-49-52(50)42-26-11-14-29-45(42)60(49)47-31-16-17-32-48(47)61-46-30-15-12-27-43(46)53-51(61)36-35-41-40-25-10-13-28-44(40)59(54(41)53)39-23-8-3-9-24-39;1-3-16-32(17-4-1)49-51-52-50(33-18-5-2-6-19-33)55(49)44-28-15-23-36-34-20-7-10-24-39(34)54(47(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)56-48(37)46;1-3-15-32(16-4-1)49-51-52-50(33-17-5-2-6-18-33)53(49)34-27-28-36-35-19-7-10-22-40(35)55(45(36)31-34)43-25-13-12-24-42(43)54-41-23-11-8-21-39(41)47-44(54)30-29-38-37-20-9-14-26-46(37)56-48(38)47/h1-36H;2*1-31H.
What are the key properties of 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 2260.75 g/mol, XLogP of 40.22, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 157343937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).