11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole

C59H34N4OS — CID 142571652

IUPAC11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5c(-c6ccc7c(c6)sc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-14-37(15-3-1)57-60-58(62-59(61-57)40-26-28-46-45-20-8-9-23-50(45)64-51(46)33-40)39-16-10-17-41(32-39)63-55-43-19-7-5-13-36(43)24-29-48(55)47-22-11-21-44(56(47)63)38-25-30-49-53(34-38)65-52-31-27-35-12-4-6-18-42(35)54(49)52/h1-34H
InChIKeyJCXWOUOJCIDNQH-UHFFFAOYSA-N
MW847.02 g/mol
LogP16.21
Rot. Bonds5

About 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole

11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole (PubChem CID 142571652) has the molecular formula C59H34N4OS and a molecular weight of 847.02 g/mol. Its IUPAC name is 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
PubChem CID142571652
Molecular FormulaC59H34N4OS
Molecular Weight847.02 g/mol
Exact Mass846.25
IUPAC Name11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5c(-c6ccc7c(c6)sc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H34N4OS/c1-2-14-37(15-3-1)57-60-58(62-59(61-57)40-26-28-46-45-20-8-9-23-50(45)64-51(46)33-40)39-16-10-17-41(32-39)63-55-43-19-7-5-13-36(43)24-29-48(55)47-22-11-21-44(56(47)63)38-25-30-49-53(34-38)65-52-31-27-35-12-4-6-18-42(35)54(49)52/h1-34H
InChIKeyJCXWOUOJCIDNQH-UHFFFAOYSA-N
XLogP16.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.02
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole with MolForge

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Related Compounds

11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-dibenzothiophen-1-ylbenzo[a]carbazole;propane
CID 142569658
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
21-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-19-dibenzothiophen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570169
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzothiol-9-ylbenzo[c]carbazole;propane
CID 142571781
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-dibenzothiophen-1-ylphenyl)carbazole
CID 142568311
12-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 170414568
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
12-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916102

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole?
The IUPAC name of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole (CID 142571652) is 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole.
What is the SMILES notation for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole?
The canonical SMILES for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5c(-c6ccc7c(c6)sc6ccc8ccccc8c67)cccc5c5ccc6ccccc6c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole?
The InChIKey is JCXWOUOJCIDNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34N4OS/c1-2-14-37(15-3-1)57-60-58(62-59(61-57)40-26-28-46-45-20-8-9-23-50(45)64-51(46)33-40)39-16-10-17-41(32-39)63-55-43-19-7-5-13-36(43)24-29-48(55)47-22-11-21-44(56(47)63)38-25-30-49-53(34-38)65-52-31-27-35-12-4-6-18-42(35)54(49)52/h1-34H.
What are the key properties of 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole?
11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole has a molecular weight of 847.02 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-naphtho[2,1-b][1]benzothiol-9-ylbenzo[a]carbazole is sourced from PubChem (CID 142571652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).