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

C56H36N6 — CID 146227213

IUPAC5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C56H36N6/c1-4-17-37(18-5-1)55-57-58-56(38-19-6-2-7-20-38)62(55)42-31-33-51-47(36-42)44-26-11-13-28-48(44)59(51)40-23-16-24-41(35-40)60-50-30-15-12-27-46(50)53-52(60)34-32-45-43-25-10-14-29-49(43)61(54(45)53)39-21-8-3-9-22-39/h1-36H
InChIKeyWJIVPZPOWZNALA-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.89
Rot. Bonds6

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

5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 146227213) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID146227213
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C56H36N6/c1-4-17-37(18-5-1)55-57-58-56(38-19-6-2-7-20-38)62(55)42-31-33-51-47(36-42)44-26-11-13-28-48(44)59(51)40-23-16-24-41(35-40)60-50-30-15-12-27-46(50)53-52(60)34-32-45-43-25-10-14-29-49(43)61(54(45)53)39-21-8-3-9-22-39/h1-36H
InChIKeyWJIVPZPOWZNALA-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-[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
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226943
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 146227213) is 5-[3-[3-(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-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is WJIVPZPOWZNALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-17-37(18-5-1)55-57-58-56(38-19-6-2-7-20-38)62(55)42-31-33-51-47(36-42)44-26-11-13-28-48(44)59(51)40-23-16-24-41(35-40)60-50-30-15-12-27-46(50)53-52(60)34-32-45-43-25-10-14-29-49(43)61(54(45)53)39-21-8-3-9-22-39/h1-36H.
What are the key properties of 5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-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-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146227213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).