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

C51H30N4S2 — CID 169010620

IUPAC9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c56)c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-11-22-39-47-37(21-13-27-44(47)57-48(39)40)36-20-12-26-43-46(36)38-29-28-33(30-45(38)56-43)55-41-24-9-7-18-34(41)35-19-8-10-25-42(35)55/h1-30H
InChIKeyMVTQIXMDUQKPCX-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

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

9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 169010620) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
PubChem CID169010620
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c56)c34)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-11-22-39-47-37(21-13-27-44(47)57-48(39)40)36-20-12-26-43-46(36)38-29-28-33(30-45(38)56-43)55-41-24-9-7-18-34(41)35-19-8-10-25-42(35)55/h1-30H
InChIKeyMVTQIXMDUQKPCX-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 174170327
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(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-7-yl]carbazole
CID 163686605
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-6-yl]carbazole
CID 146664314
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-6-yl]carbazole
CID 146664398
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169011469
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 146664243
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-yl]carbazole
CID 146664302

Frequently Asked Questions

What is the IUPAC name of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole (CID 169010620) is 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6sc7cc(-n8c9ccccc9c9ccccc98)ccc7c56)c34)n2)cc1.
What is the InChIKey of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is MVTQIXMDUQKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)40-23-11-22-39-47-37(21-13-27-44(47)57-48(39)40)36-20-12-26-43-46(36)38-29-28-33(30-45(38)56-43)55-41-24-9-7-18-34(41)35-19-8-10-25-42(35)55/h1-30H.
What are the key properties of 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole?
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 169010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).