12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole

C143H88N12S3 — CID 159121688

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccc7ccccc7c6)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6cccc7ccccc67)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/2C49H30N4S.C45H28N4S/c1-4-13-31(14-5-1)35-23-27-43-41(29-35)39-25-26-40-42-30-36(38-22-12-20-32-15-10-11-21-37(32)38)24-28-44(42)54-46(40)45(39)53(43)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-22-26-43-41(29-37)39-24-25-40-42-30-38(36-21-20-32-14-10-11-19-35(32)28-36)23-27-44(42)54-46(40)45(39)53(43)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-5-13-29(14-6-1)33-21-25-39-37(27-33)35-23-24-36-38-28-34(30-15-7-2-8-16-30)22-26-40(38)50-42(36)41(35)49(39)45-47-43(31-17-9-3-10-18-31)46-44(48-45)32-19-11-4-12-20-32/h2*1-30H;1-28H
InChIKeyKFTRBJVLHRAVRZ-UHFFFAOYSA-N
MW2070.56 g/mol
LogP38.32
Rot. Bonds15

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 159121688) has the molecular formula C143H88N12S3 and a molecular weight of 2070.56 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID159121688
Molecular FormulaC143H88N12S3
Molecular Weight2070.56 g/mol
Exact Mass2068.64
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccc7ccccc7c6)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6cccc7ccccc67)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1
InChIInChI=1S/2C49H30N4S.C45H28N4S/c1-4-13-31(14-5-1)35-23-27-43-41(29-35)39-25-26-40-42-30-36(38-22-12-20-32-15-10-11-21-37(32)38)24-28-44(42)54-46(40)45(39)53(43)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-22-26-43-41(29-37)39-24-25-40-42-30-38(36-21-20-32-14-10-11-19-35(32)28-36)23-27-44(42)54-46(40)45(39)53(43)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-5-13-29(14-6-1)33-21-25-39-37(27-33)35-23-24-36-38-28-34(30-15-7-2-8-16-30)22-26-40(38)50-42(36)41(35)49(39)45-47-43(31-17-9-3-10-18-31)46-44(48-45)32-19-11-4-12-20-32/h2*1-30H;1-28H
InChIKeyKFTRBJVLHRAVRZ-UHFFFAOYSA-N
XLogP38.32
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.56
LogP ≤ 538.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115
4-dibenzothiophen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142570066
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-dibenzothiophen-2-ylbenzo[b]carbazole;propane
CID 142570568
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
8-dibenzothiophen-2-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 142572167
8-dibenzothiophen-2-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142569902
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-[4-[6-[6-[4-(3-naphthalen-1-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenanthren-9-yl]phenyl]-1,3,5-triazine
CID 163881964
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 126580350
8-dibenzothiophen-4-yl-7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570090
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088
28-(4-naphtho[1,2-b][1]benzothiol-8-yl-6-phenyl-1,3,5-triazin-2-yl)-1,13,28-triazanonacyclo[16.13.1.12,6.07,12.014,32.019,31.021,29.022,27.013,33]tritriaconta-2,4,6(33),7,9,11,14,16,18(32),19(31),20,22,24,26,29-pentadecaene
CID 166694540

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 159121688) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccc7ccccc7c6)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6cccc7ccccc67)ccc5sc4c2n3-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3sc4c(ccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3c2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is KFTRBJVLHRAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H30N4S.C45H28N4S/c1-4-13-31(14-5-1)35-23-27-43-41(29-35)39-25-26-40-42-30-36(38-22-12-20-32-15-10-11-21-37(32)38)24-28-44(42)54-46(40)45(39)53(43)49-51-47(33-16-6-2-7-17-33)50-48(52-49)34-18-8-3-9-19-34;1-4-12-31(13-5-1)37-22-26-43-41(29-37)39-24-25-40-42-30-38(36-21-20-32-14-10-11-19-35(32)28-36)23-27-44(42)54-46(40)45(39)53(43)49-51-47(33-15-6-2-7-16-33)50-48(52-49)34-17-8-3-9-18-34;1-5-13-29(14-6-1)33-21-25-39-37(27-33)35-23-24-36-38-28-34(30-15-7-2-8-16-30)22-26-40(38)50-42(36)41(35)49(39)45-47-43(31-17-9-3-10-18-31)46-44(48-45)32-19-11-4-12-20-32/h2*1-30H;1-28H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 2070.56 g/mol, XLogP of 38.32, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diphenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-1-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-3-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 159121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).