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

C56H36N6 — CID 146226943

IUPAC5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6/c1-4-19-37(20-5-1)55-57-58-56(60(55)39-23-8-3-9-24-39)45-29-18-28-42-40-25-11-14-31-47(40)62(53(42)45)50-34-17-16-33-49(50)61-48-32-15-12-27-44(48)52-51(61)36-35-43-41-26-10-13-30-46(41)59(54(43)52)38-21-6-2-7-22-38/h1-36H
InChIKeyUQRCTTIGRPHFGO-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.89
Rot. Bonds6

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

5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 146226943) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID146226943
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6/c1-4-19-37(20-5-1)55-57-58-56(60(55)39-23-8-3-9-24-39)45-29-18-28-42-40-25-11-14-31-47(40)62(53(42)45)50-34-17-16-33-49(50)61-48-32-15-12-27-44(48)52-51(61)36-35-43-41-26-10-13-30-46(41)59(54(43)52)38-21-6-2-7-22-38/h1-36H
InChIKeyUQRCTTIGRPHFGO-UHFFFAOYSA-N
XLogP13.89
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
5-[3-[3-[1-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 158557547
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
14-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-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 146226786
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 146226943) is 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c34)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is UQRCTTIGRPHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-19-37(20-5-1)55-57-58-56(60(55)39-23-8-3-9-24-39)45-29-18-28-42-40-25-11-14-31-47(40)62(53(42)45)50-34-17-16-33-49(50)61-48-32-15-12-27-44(48)52-51(61)36-35-43-41-26-10-13-30-46(41)59(54(43)52)38-21-6-2-7-22-38/h1-36H.
What are the key properties of 5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.89, 6 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-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146226943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).