5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole

C52H33N5O — CID 168809458

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
SMILESCc1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H33N5O/c1-32-24-26-33(27-25-32)40-28-36(29-43-39-20-10-13-23-48(39)58-49(40)43)56-44-21-11-8-18-37(44)41-30-42-38-19-9-12-22-45(38)57(47(42)31-46(41)56)52-54-50(34-14-4-2-5-15-34)53-51(55-52)35-16-6-3-7-17-35/h2-31H,1H3
InChIKeyOYPGSWDJOKFUAX-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.27
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole (PubChem CID 168809458) has the molecular formula C52H33N5O and a molecular weight of 743.87 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
PubChem CID168809458
Molecular FormulaC52H33N5O
Molecular Weight743.87 g/mol
Exact Mass743.27
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole
SMILESCc1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C52H33N5O/c1-32-24-26-33(27-25-32)40-28-36(29-43-39-20-10-13-23-48(39)58-49(40)43)56-44-21-11-8-18-37(44)41-30-42-38-19-9-12-22-45(38)57(47(42)31-46(41)56)52-54-50(34-14-4-2-5-15-34)53-51(55-52)35-16-6-3-7-17-35/h2-31H,1H3
InChIKeyOYPGSWDJOKFUAX-UHFFFAOYSA-N
XLogP13.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-phenyldibenzofuran-2-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 168809556
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-naphthalen-2-yldibenzofuran-2-yl)indolo[2,3-b]carbazole
CID 168809537
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
9-[4-phenyl-7-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 170078239
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167347572
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenyldibenzofuran-2-yl)indolo[3,2-c]carbazole
CID 168809412
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
CID 162507130
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzofuran-2-yl-7-methylcarbazole
CID 176750740
9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495942
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole (CID 168809458) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole is Cc1ccc(-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole?
The InChIKey is OYPGSWDJOKFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5O/c1-32-24-26-33(27-25-32)40-28-36(29-43-39-20-10-13-23-48(39)58-49(40)43)56-44-21-11-8-18-37(44)41-30-42-38-19-9-12-22-45(38)57(47(42)31-46(41)56)52-54-50(34-14-4-2-5-15-34)53-51(55-52)35-16-6-3-7-17-35/h2-31H,1H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole has a molecular weight of 743.87 g/mol, XLogP of 13.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-methylphenyl)dibenzofuran-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 168809458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).