5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C57H36N6 — CID 170268443

IUPAC5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1
InChIInChI=1S/C57H36N6/c1-4-17-37(18-5-1)40-23-16-24-41(35-40)62-48-28-13-10-25-43(48)45-32-34-52-53(54(45)62)46-27-12-15-30-50(46)61(52)42-31-33-51-47(36-42)44-26-11-14-29-49(44)63(51)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-36H
InChIKeyDSKYYAIMGBBINA-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 170268443) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID170268443
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1
InChIInChI=1S/C57H36N6/c1-4-17-37(18-5-1)40-23-16-24-41(35-40)62-48-28-13-10-25-43(48)45-32-34-52-53(54(45)62)46-27-12-15-30-50(46)61(52)42-31-33-51-47(36-42)44-26-11-14-29-49(44)63(51)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-36H
InChIKeyDSKYYAIMGBBINA-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 118504546
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[3,2-c]carbazole
CID 170318147
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-3-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-b]carbazole
CID 90195034
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289089

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 170268443) is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1.
What is the InChIKey of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is DSKYYAIMGBBINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-4-17-37(18-5-1)40-23-16-24-41(35-40)62-48-28-13-10-25-43(48)45-32-34-52-53(54(45)62)46-27-12-15-30-50(46)61(52)42-31-33-51-47(36-42)44-26-11-14-29-49(44)63(51)57-59-55(38-19-6-2-7-20-38)58-56(60-57)39-21-8-3-9-22-39/h1-36H.
What are the key properties of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170268443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).