11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C51H30N4OS — CID 154601980

IUPAC11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)sc5ccccc57)cc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-4-13-31(14-5-1)49-52-50(32-15-6-2-7-16-32)54-51(53-49)34-23-25-37-39-27-33(24-26-44(39)56-45(37)28-34)36-20-12-21-42-48(36)41-29-40-38-19-10-11-22-46(38)57-47(40)30-43(41)55(42)35-17-8-3-9-18-35/h1-30H
InChIKeyOPPYGCKLXICQIG-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole

11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 154601980) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID154601980
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)sc5ccccc57)cc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-4-13-31(14-5-1)49-52-50(32-15-6-2-7-16-32)54-51(53-49)34-23-25-37-39-27-33(24-26-44(39)56-45(37)28-34)36-20-12-21-42-48(36)41-29-40-38-19-10-11-22-46(38)57-47(40)30-43(41)55(42)35-17-8-3-9-18-35/h1-30H
InChIKeyOPPYGCKLXICQIG-UHFFFAOYSA-N
XLogP13.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.90
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
4-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-9-phenylcarbazole
CID 170192736
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 166914793
4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158491258
2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767810
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,6-diphenyl-1,3,5-triazine;3-dibenzofuran-1-yl-9-phenylcarbazole;2-dibenzothiophen-1-yl-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4,6-diphenyl-1,3,5-triazine
CID 163752902
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926

Frequently Asked Questions

What is the IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 154601980) is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5c5cc7c(cc5n6-c5ccccc5)sc5ccccc57)cc34)n2)cc1.
What is the InChIKey of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is OPPYGCKLXICQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-4-13-31(14-5-1)49-52-50(32-15-6-2-7-16-32)54-51(53-49)34-23-25-37-39-27-33(24-26-44(39)56-45(37)28-34)36-20-12-21-42-48(36)41-29-40-38-19-10-11-22-46(38)57-47(40)30-43(41)55(42)35-17-8-3-9-18-35/h1-30H.
What are the key properties of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 746.90 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 154601980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).