2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole

C87H48N10O2S3 — CID 148778927

IUPAC2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12cccc(-c%13nc%14ccccc%14s%13)c%12c%10%11)n9)c8)c7c6)ccc5s4)cc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7s6)c5c34)n2)cc1
InChIInChI=1S/C87H48N10O2S3/c1-3-18-49(19-4-1)79-91-81(95-83(93-79)59-25-14-32-68-75(59)77-61(27-16-34-70(77)98-68)86-88-63-29-8-11-36-72(63)101-86)51-38-40-52(41-39-51)85-90-65-47-53(43-45-74(65)100-85)54-42-44-58-57-24-7-10-31-66(57)97(67(58)48-54)56-23-13-22-55(46-56)82-92-80(50-20-5-2-6-21-50)94-84(96-82)60-26-15-33-69-76(60)78-62(28-17-35-71(78)99-69)87-89-64-30-9-12-37-73(64)102-87/h1-48H
InChIKeyOJXMBIKBNLCXPV-UHFFFAOYSA-N
MW1361.61 g/mol
LogP23.45
Rot. Bonds11

About 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole

2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole (PubChem CID 148778927) has the molecular formula C87H48N10O2S3 and a molecular weight of 1361.61 g/mol. Its IUPAC name is 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
PubChem CID148778927
Molecular FormulaC87H48N10O2S3
Molecular Weight1361.61 g/mol
Exact Mass1360.31
IUPAC Name2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12cccc(-c%13nc%14ccccc%14s%13)c%12c%10%11)n9)c8)c7c6)ccc5s4)cc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7s6)c5c34)n2)cc1
InChIInChI=1S/C87H48N10O2S3/c1-3-18-49(19-4-1)79-91-81(95-83(93-79)59-25-14-32-68-75(59)77-61(27-16-34-70(77)98-68)86-88-63-29-8-11-36-72(63)101-86)51-38-40-52(41-39-51)85-90-65-47-53(43-45-74(65)100-85)54-42-44-58-57-24-7-10-31-66(57)97(67(58)48-54)56-23-13-22-55(46-56)82-92-80(50-20-5-2-6-21-50)94-84(96-82)60-26-15-33-69-76(60)78-62(28-17-35-71(78)99-69)87-89-64-30-9-12-37-73(64)102-87/h1-48H
InChIKeyOJXMBIKBNLCXPV-UHFFFAOYSA-N
XLogP23.45
TPSA147.22 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001361.61
LogP ≤ 523.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-[9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 147953045
2-[4-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-phenyl-6-[8-(1-phenylbenzimidazol-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 154970633
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
2-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3-benzothiazole
CID 153077679
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513232
9-phenyl-2-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 147645952
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 158542008
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 169011493

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole (CID 148778927) is 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole is c1ccc(-c2nc(-c3ccc(-c4nc5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10cccc%11oc%12cccc(-c%13nc%14ccccc%14s%13)c%12c%10%11)n9)c8)c7c6)ccc5s4)cc3)nc(-c3cccc4oc5cccc(-c6nc7ccccc7s6)c5c34)n2)cc1.
What is the InChIKey of 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
The InChIKey is OJXMBIKBNLCXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H48N10O2S3/c1-3-18-49(19-4-1)79-91-81(95-83(93-79)59-25-14-32-68-75(59)77-61(27-16-34-70(77)98-68)86-88-63-29-8-11-36-72(63)101-86)51-38-40-52(41-39-51)85-90-65-47-53(43-45-74(65)100-85)54-42-44-58-57-24-7-10-31-66(57)97(67(58)48-54)56-23-13-22-55(46-56)82-92-80(50-20-5-2-6-21-50)94-84(96-82)60-26-15-33-69-76(60)78-62(28-17-35-71(78)99-69)87-89-64-30-9-12-37-73(64)102-87/h1-48H.
What are the key properties of 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole?
2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole has a molecular weight of 1361.61 g/mol, XLogP of 23.45, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[9-[3-[4-[9-(1,3-benzothiazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 148778927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).