9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole

C51H30N4OS — CID 169010716

IUPAC9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5cccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)ccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-26-40-39-25-22-33(28-44(39)56-45(40)29-34)36-18-11-21-47-48(36)41-30-35(24-27-46(41)57-47)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H
InChIKeyDUFMPZYHXXUYAF-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole

9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 169010716) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
PubChem CID169010716
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5cccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)ccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-26-40-39-25-22-33(28-44(39)56-45(40)29-34)36-18-11-21-47-48(36)41-30-35(24-27-46(41)57-47)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H
InChIKeyDUFMPZYHXXUYAF-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

9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 169011197
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010891
3-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 158680520
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169011469
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011026
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768603
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169011395
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-7-yl]carbazole
CID 162781376
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853

Frequently Asked Questions

What is the IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole (CID 169010716) is 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5cccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)ccc34)n2)cc1.
What is the InChIKey of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is DUFMPZYHXXUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)34-23-26-40-39-25-22-33(28-44(39)56-45(40)29-34)36-18-11-21-47-48(36)41-30-35(24-27-46(41)57-47)55-42-19-9-7-16-37(42)38-17-8-10-20-43(38)55/h1-30H.
What are the key properties of 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole?
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]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 9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 169010716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).