9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole

C51H30N4OS — CID 169011633

IUPAC9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5)ccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-40-39-23-19-34(28-45(39)56-46(40)29-35)33-21-26-47-42(27-33)41-25-22-36(30-48(41)57-47)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30H
InChIKeyAIRYGVHGUYWZGJ-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

About 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole

9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 169011633) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
PubChem CID169011633
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5)ccc34)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-40-39-23-19-34(28-45(39)56-46(40)29-35)33-21-26-47-42(27-33)41-25-22-36(30-48(41)57-47)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30H
InChIKeyAIRYGVHGUYWZGJ-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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
9-[3-[4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780092
9-[7-[7-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011595
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;2-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165082275
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 160542300
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 163660438
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169011395
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010831
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011068

Frequently Asked Questions

What is the IUPAC name of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole (CID 169011633) is 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cc(-c5ccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c6c5)ccc34)n2)cc1.
What is the InChIKey of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is AIRYGVHGUYWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-40-39-23-19-34(28-45(39)56-46(40)29-35)33-21-26-47-42(27-33)41-25-22-36(30-48(41)57-47)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30H.
What are the key properties of 9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole?
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-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-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 169011633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).