9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

C147H92N12S3 — CID 159013157

IUPAC9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5sc5cccc(-c7ccccc7)c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6sc7cccc(-c8ccccc8)c7c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C51H32N4S.C45H28N4S/c1-3-14-34(15-4-1)39-22-13-27-46-47(39)43-24-12-23-40(48(43)56-46)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-25-9-7-20-41(44)42-21-8-10-26-45(42)55;1-3-14-34(15-4-1)39-22-12-26-45-47(39)48-40(23-13-27-46(48)56-45)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-43-24-9-7-20-41(43)42-21-8-10-25-44(42)55;1-2-11-30(12-3-1)43-46-44(48-45(47-43)49-39-18-7-4-15-35(39)36-16-5-8-19-40(36)49)31-23-21-29(22-24-31)32-13-10-14-33(27-32)34-25-26-42-38(28-34)37-17-6-9-20-41(37)50-42/h2*1-32H;1-28H
InChIKeyJSTGQHUJKJVGHI-UHFFFAOYSA-N
MW2122.64 g/mol
LogP39.35
Rot. Bonds17

About 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 159013157) has the molecular formula C147H92N12S3 and a molecular weight of 2122.64 g/mol. Its IUPAC name is 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID159013157
Molecular FormulaC147H92N12S3
Molecular Weight2122.64 g/mol
Exact Mass2120.67
IUPAC Name9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5sc5cccc(-c7ccccc7)c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6sc7cccc(-c8ccccc8)c7c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/2C51H32N4S.C45H28N4S/c1-3-14-34(15-4-1)39-22-13-27-46-47(39)43-24-12-23-40(48(43)56-46)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-25-9-7-20-41(44)42-21-8-10-26-45(42)55;1-3-14-34(15-4-1)39-22-12-26-45-47(39)48-40(23-13-27-46(48)56-45)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-43-24-9-7-20-41(43)42-21-8-10-25-44(42)55;1-2-11-30(12-3-1)43-46-44(48-45(47-43)49-39-18-7-4-15-35(39)36-16-5-8-19-40(36)49)31-23-21-29(22-24-31)32-13-10-14-33(27-32)34-25-26-42-38(28-34)37-17-6-9-20-41(37)50-42/h2*1-32H;1-28H
InChIKeyJSTGQHUJKJVGHI-UHFFFAOYSA-N
XLogP39.35
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002122.64
LogP ≤ 539.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 159013157) is 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5sc5cccc(-c7ccccc7)c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6sc7cccc(-c8ccccc8)c7c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is JSTGQHUJKJVGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H32N4S.C45H28N4S/c1-3-14-34(15-4-1)39-22-13-27-46-47(39)43-24-12-23-40(48(43)56-46)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-25-9-7-20-41(44)42-21-8-10-26-45(42)55;1-3-14-34(15-4-1)39-22-12-26-45-47(39)48-40(23-13-27-46(48)56-45)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-43-24-9-7-20-41(43)42-21-8-10-25-44(42)55;1-2-11-30(12-3-1)43-46-44(48-45(47-43)49-39-18-7-4-15-35(39)36-16-5-8-19-40(36)49)31-23-21-29(22-24-31)32-13-10-14-33(27-32)34-25-26-42-38(28-34)37-17-6-9-20-41(37)50-42/h2*1-32H;1-28H.
What are the key properties of 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2122.64 g/mol, XLogP of 39.35, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 159013157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).