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

C51H30N4OS — CID 163643947

IUPAC1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cccc(-c5cccc6sc7ccccc7c56)c43)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-30-29-38-34-20-8-11-26-42(34)56-48(38)47(40)55-41-25-10-7-19-33(41)36-23-13-24-37(46(36)55)35-22-14-28-44-45(35)39-21-9-12-27-43(39)57-44/h1-30H
InChIKeyIGQNYPNUQUXDPM-UHFFFAOYSA-N
MW746.90 g/mol
LogP13.90
Rot. Bonds5

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

1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 163643947) has the molecular formula C51H30N4OS and a molecular weight of 746.90 g/mol. Its IUPAC name is 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID163643947
Molecular FormulaC51H30N4OS
Molecular Weight746.90 g/mol
Exact Mass746.21
IUPAC Name1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cccc(-c5cccc6sc7ccccc7c56)c43)n2)cc1
InChIInChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-30-29-38-34-20-8-11-26-42(34)56-48(38)47(40)55-41-25-10-7-19-33(41)36-23-13-24-37(46(36)55)35-22-14-28-44-45(35)39-21-9-12-27-43(39)57-44/h1-30H
InChIKeyIGQNYPNUQUXDPM-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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Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole (CID 163643947) is 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(oc5ccccc54)c3-n3c4ccccc4c4cccc(-c5cccc6sc7ccccc7c56)c43)n2)cc1.
What is the InChIKey of 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is IGQNYPNUQUXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)40-30-29-38-34-20-8-11-26-42(34)56-48(38)47(40)55-41-25-10-7-19-33(41)36-23-13-24-37(46(36)55)35-22-14-28-44-45(35)39-21-9-12-27-43(39)57-44/h1-30H.
What are the key properties of 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole?
1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-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 1-dibenzothiophen-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 163643947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).