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

C62H40N6 — CID 146226899

IUPAC5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c5)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C62H40N6/c1-4-19-41(20-5-1)61-63-64-62(68(61)45-25-8-3-9-26-45)53-33-18-32-50-48-29-10-14-35-55(48)67(59(50)53)47-28-17-22-43(40-47)42-21-16-27-46(39-42)65-56-36-15-12-31-52(56)58-57(65)38-37-51-49-30-11-13-34-54(49)66(60(51)58)44-23-6-2-7-24-44/h1-40H
InChIKeyVLTDAZASTZGKJT-UHFFFAOYSA-N
MW869.04 g/mol
LogP15.56
Rot. Bonds7

About 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-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 146226899) has the molecular formula C62H40N6 and a molecular weight of 869.04 g/mol. Its IUPAC name is 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID146226899
Molecular FormulaC62H40N6
Molecular Weight869.04 g/mol
Exact Mass868.33
IUPAC Name5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c5)c34)n2-c2ccccc2)cc1
InChIInChI=1S/C62H40N6/c1-4-19-41(20-5-1)61-63-64-62(68(61)45-25-8-3-9-26-45)53-33-18-32-50-48-29-10-14-35-55(48)67(59(50)53)47-28-17-22-43(40-47)42-21-16-27-46(39-42)65-56-36-15-12-31-52(56)58-57(65)38-37-51-49-30-11-13-34-54(49)66(60(51)58)44-23-6-2-7-24-44/h1-40H
InChIKeyVLTDAZASTZGKJT-UHFFFAOYSA-N
XLogP15.56
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226943
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-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
9-(3-phenylphenyl)-3-[4-phenyl-5-[9-(3-phenylphenyl)carbazol-4-yl]-1,2,4-triazol-3-yl]carbazole
CID 122594044
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 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) is 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nnc(-c3cccc4c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c5)c34)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is VLTDAZASTZGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6/c1-4-19-41(20-5-1)61-63-64-62(68(61)45-25-8-3-9-26-45)53-33-18-32-50-48-29-10-14-35-55(48)67(59(50)53)47-28-17-22-43(40-47)42-21-16-27-46(39-42)65-56-36-15-12-31-52(56)58-57(65)38-37-51-49-30-11-13-34-54(49)66(60(51)58)44-23-6-2-7-24-44/h1-40H.
What are the key properties of 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-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 869.04 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).