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

C51H30N4S2 — CID 130265922

IUPAC5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc5c4sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-25-23-31(24-26-34)40-29-35(30-41-37-18-9-12-22-45(37)56-47(40)41)55-42-20-10-7-19-39(42)46-43(55)28-27-38-36-17-8-11-21-44(36)57-48(38)46/h1-30H
InChIKeyUKOPQEQCWSSSPV-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

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

5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 130265922) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID130265922
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc5c4sc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-25-23-31(24-26-34)40-29-35(30-41-37-18-9-12-22-45(37)56-47(40)41)55-42-20-10-7-19-39(42)46-43(55)28-27-38-36-17-8-11-21-44(36)57-48(38)46/h1-30H
InChIKeyUKOPQEQCWSSSPV-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

CID 145238290
CID 145238290
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 90211244
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
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),4,6,11,14,16,18-nonaen-5-yl]-2-phenylcarbazole
CID 147015427
9-(4,8-diphenyldibenzothiophen-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139556264
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 147409157
12-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-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 154968507
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 129225757
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenylindolo[3,2-b]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158076217
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole (CID 130265922) is 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc5c4sc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is UKOPQEQCWSSSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-25-23-31(24-26-34)40-29-35(30-41-37-18-9-12-22-45(37)56-47(40)41)55-42-20-10-7-19-39(42)46-43(55)28-27-38-36-17-8-11-21-44(36)57-48(38)46/h1-30H.
What are the key properties of 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]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 5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 130265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).