5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole

C56H33N5OS — CID 146226878

IUPAC5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8c9oc%10ccccc%10c9ccc87)cc6c5c4)c3c2)cc1
InChIInChI=1S/C56H33N5OS/c1-3-13-34(14-4-1)55-57-58-56(35-15-5-2-6-16-35)61(55)38-23-26-40-39-17-7-10-20-46(39)60(49(40)33-38)37-25-30-52-45(32-37)44-31-36(24-29-51(44)63-52)59-47-21-11-8-19-43(47)53-48(59)28-27-42-41-18-9-12-22-50(41)62-54(42)53/h1-33H
InChIKeyNBJVDFVEVNCVNV-UHFFFAOYSA-N
MW823.98 g/mol
LogP15.06
Rot. Bonds5

About 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 146226878) has the molecular formula C56H33N5OS and a molecular weight of 823.98 g/mol. Its IUPAC name is 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID146226878
Molecular FormulaC56H33N5OS
Molecular Weight823.98 g/mol
Exact Mass823.24
IUPAC Name5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8c9oc%10ccccc%10c9ccc87)cc6c5c4)c3c2)cc1
InChIInChI=1S/C56H33N5OS/c1-3-13-34(14-4-1)55-57-58-56(35-15-5-2-6-16-35)61(55)38-23-26-40-39-17-7-10-20-46(39)60(49(40)33-38)37-25-30-52-45(32-37)44-31-36(24-29-51(44)63-52)59-47-21-11-8-19-43(47)53-48(59)28-27-42-41-18-9-12-22-50(41)62-54(42)53/h1-33H
InChIKeyNBJVDFVEVNCVNV-UHFFFAOYSA-N
XLogP15.06
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.98
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
N-dibenzothiophen-2-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716967
9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
7-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159515
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155159999
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
5-Dibenzothiophen-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160013
27-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160014

Frequently Asked Questions

What is the IUPAC name of 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 146226878) is 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c4ccccc4n(-c4ccc5sc6ccc(-n7c8ccccc8c8c9oc%10ccccc%10c9ccc87)cc6c5c4)c3c2)cc1.
What is the InChIKey of 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is NBJVDFVEVNCVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5OS/c1-3-13-34(14-4-1)55-57-58-56(35-15-5-2-6-16-35)61(55)38-23-26-40-39-17-7-10-20-46(39)60(49(40)33-38)37-25-30-52-45(32-37)44-31-36(24-29-51(44)63-52)59-47-21-11-8-19-43(47)53-48(59)28-27-42-41-18-9-12-22-50(41)62-54(42)53/h1-33H.
What are the key properties of 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 823.98 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]dibenzothiophen-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146226878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).