2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole

C88H48N10S6 — CID 155366597

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12s%11)ccc9n%10-c9ccc(-c%10nc%11ccccc%11s%10)cn9)sc8c7)ccc6s5)ccc43)nc(-c3ccccc3)c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C88H48N10S6/c1-3-15-49(16-4-1)58-47-80(96-82(50-17-5-2-6-18-50)81(58)88-94-66-22-10-14-26-76(66)103-88)98-71-37-30-54(84-91-64-20-8-12-24-74(64)100-84)42-61(71)62-44-56(31-38-72(62)98)86-95-68-45-51(32-39-77(68)102-86)52-27-34-67-78(46-52)104-85(93-67)55-29-36-70-60(43-55)59-41-53(83-90-63-19-7-11-23-73(63)99-83)28-35-69(59)97(70)79-40-33-57(48-89-79)87-92-65-21-9-13-25-75(65)101-87/h1-48H
InChIKeyYISFSZKEKHRZQJ-UHFFFAOYSA-N
MW1437.82 g/mol
LogP25.33
Rot. Bonds11

About 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole

2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole (PubChem CID 155366597) has the molecular formula C88H48N10S6 and a molecular weight of 1437.82 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole
PubChem CID155366597
Molecular FormulaC88H48N10S6
Molecular Weight1437.82 g/mol
Exact Mass1436.24
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12s%11)ccc9n%10-c9ccc(-c%10nc%11ccccc%11s%10)cn9)sc8c7)ccc6s5)ccc43)nc(-c3ccccc3)c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C88H48N10S6/c1-3-15-49(16-4-1)58-47-80(96-82(50-17-5-2-6-18-50)81(58)88-94-66-22-10-14-26-76(66)103-88)98-71-37-30-54(84-91-64-20-8-12-24-74(64)100-84)42-61(71)62-44-56(31-38-72(62)98)86-95-68-45-51(32-39-77(68)102-86)52-27-34-67-78(46-52)104-85(93-67)55-29-36-70-60(43-55)59-41-53(83-90-63-19-7-11-23-73(63)99-83)28-35-69(59)97(70)79-40-33-57(48-89-79)87-92-65-21-9-13-25-75(65)101-87/h1-48H
InChIKeyYISFSZKEKHRZQJ-UHFFFAOYSA-N
XLogP25.33
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.82
LogP ≤ 525.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole (CID 155366597) is 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole is c1ccc(-c2cc(-n3c4ccc(-c5nc6ccccc6s5)cc4c4cc(-c5nc6cc(-c7ccc8nc(-c9ccc%10c(c9)c9cc(-c%11nc%12ccccc%12s%11)ccc9n%10-c9ccc(-c%10nc%11ccccc%11s%10)cn9)sc8c7)ccc6s5)ccc43)nc(-c3ccccc3)c2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole?
The InChIKey is YISFSZKEKHRZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H48N10S6/c1-3-15-49(16-4-1)58-47-80(96-82(50-17-5-2-6-18-50)81(58)88-94-66-22-10-14-26-76(66)103-88)98-71-37-30-54(84-91-64-20-8-12-24-74(64)100-84)42-61(71)62-44-56(31-38-72(62)98)86-95-68-45-51(32-39-77(68)102-86)52-27-34-67-78(46-52)104-85(93-67)55-29-36-70-60(43-55)59-41-53(83-90-63-19-7-11-23-73(63)99-83)28-35-69(59)97(70)79-40-33-57(48-89-79)87-92-65-21-9-13-25-75(65)101-87/h1-48H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole?
2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole has a molecular weight of 1437.82 g/mol, XLogP of 25.33, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-5-[2-[6-(1,3-benzothiazol-2-yl)-9-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole is sourced from PubChem (CID 155366597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).