2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole

C166H94N16S12 — CID 158529006

IUPAC2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3c2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc23)cc1.c1ccc2cc(-c3ccc4nc(-c5ccc6c(c5)c5cc(-c7nc8ccccc8s7)ccc5n6-c5nc6ccccc6s5)sc4c3)ccc2c1
InChIInChI=1S/C45H26N4S3.C43H24N4S3.2C39H22N4S3/c1-3-11-27(12-4-1)31-25-37-42(26-32(31)28-13-5-2-6-14-28)51-44(47-37)30-20-22-39-34(24-30)33-23-29(43-46-35-15-7-9-17-40(35)50-43)19-21-38(33)49(39)45-48-36-16-8-10-18-41(36)52-45;1-2-8-26-21-27(14-13-25(26)7-1)28-15-18-35-40(24-28)49-42(45-35)30-17-20-37-32(23-30)31-22-29(41-44-33-9-3-5-11-38(33)48-41)16-19-36(31)47(37)43-46-34-10-4-6-12-39(34)50-43;1-2-9-23(10-3-1)26-11-8-14-31-36(26)46-38(41-31)25-18-20-33-28(22-25)27-21-24(37-40-29-12-4-6-15-34(29)44-37)17-19-32(27)43(33)39-42-30-13-5-7-16-35(30)45-39;1-2-8-23(9-3-1)24-14-17-31-36(22-24)45-38(41-31)26-16-19-33-28(21-26)27-20-25(37-40-29-10-4-6-12-34(29)44-37)15-18-32(27)43(33)39-42-30-11-5-7-13-35(30)46-39/h1-26H;1-24H;2*1-22H
InChIKeyHNDDWJZKRIXNIB-UHFFFAOYSA-N
MW2697.49 g/mol
LogP49.28
Rot. Bonds17

About 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole

2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole (PubChem CID 158529006) has the molecular formula C166H94N16S12 and a molecular weight of 2697.49 g/mol. Its IUPAC name is 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole
PubChem CID158529006
Molecular FormulaC166H94N16S12
Molecular Weight2697.49 g/mol
Exact Mass2694.45
IUPAC Name2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3c2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc23)cc1.c1ccc2cc(-c3ccc4nc(-c5ccc6c(c5)c5cc(-c7nc8ccccc8s7)ccc5n6-c5nc6ccccc6s5)sc4c3)ccc2c1
InChIInChI=1S/C45H26N4S3.C43H24N4S3.2C39H22N4S3/c1-3-11-27(12-4-1)31-25-37-42(26-32(31)28-13-5-2-6-14-28)51-44(47-37)30-20-22-39-34(24-30)33-23-29(43-46-35-15-7-9-17-40(35)50-43)19-21-38(33)49(39)45-48-36-16-8-10-18-41(36)52-45;1-2-8-26-21-27(14-13-25(26)7-1)28-15-18-35-40(24-28)49-42(45-35)30-17-20-37-32(23-30)31-22-29(41-44-33-9-3-5-11-38(33)48-41)16-19-36(31)47(37)43-46-34-10-4-6-12-39(34)50-43;1-2-9-23(10-3-1)26-11-8-14-31-36(26)46-38(41-31)25-18-20-33-28(22-25)27-21-24(37-40-29-12-4-6-15-34(29)44-37)17-19-32(27)43(33)39-42-30-13-5-7-16-35(30)45-39;1-2-8-23(9-3-1)24-14-17-31-36(22-24)45-38(41-31)26-16-19-33-28(21-26)27-20-25(37-40-29-10-4-6-12-34(29)44-37)15-18-32(27)43(33)39-42-30-11-5-7-13-35(30)46-39/h1-26H;1-24H;2*1-22H
InChIKeyHNDDWJZKRIXNIB-UHFFFAOYSA-N
XLogP49.28
TPSA174.40 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002697.49
LogP ≤ 549.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole?
The IUPAC name of 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole (CID 158529006) is 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole.
What is the SMILES notation for 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole?
The canonical SMILES for 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole is c1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc3c2)cc1.c1ccc(-c2cccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7s6)ccc4n5-c4nc5ccccc5s4)sc23)cc1.c1ccc2cc(-c3ccc4nc(-c5ccc6c(c5)c5cc(-c7nc8ccccc8s7)ccc5n6-c5nc6ccccc6s5)sc4c3)ccc2c1.
What is the InChIKey of 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole?
The InChIKey is HNDDWJZKRIXNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4S3.C43H24N4S3.2C39H22N4S3/c1-3-11-27(12-4-1)31-25-37-42(26-32(31)28-13-5-2-6-14-28)51-44(47-37)30-20-22-39-34(24-30)33-23-29(43-46-35-15-7-9-17-40(35)50-43)19-21-38(33)49(39)45-48-36-16-8-10-18-41(36)52-45;1-2-8-26-21-27(14-13-25(26)7-1)28-15-18-35-40(24-28)49-42(45-35)30-17-20-37-32(23-30)31-22-29(41-44-33-9-3-5-11-38(33)48-41)16-19-36(31)47(37)43-46-34-10-4-6-12-39(34)50-43;1-2-9-23(10-3-1)26-11-8-14-31-36(26)46-38(41-31)25-18-20-33-28(22-25)27-21-24(37-40-29-12-4-6-15-34(29)44-37)17-19-32(27)43(33)39-42-30-13-5-7-16-35(30)45-39;1-2-8-23(9-3-1)24-14-17-31-36(22-24)45-38(41-31)26-16-19-33-28(21-26)27-20-25(37-40-29-10-4-6-12-34(29)44-37)15-18-32(27)43(33)39-42-30-11-5-7-13-35(30)46-39/h1-26H;1-24H;2*1-22H.
What are the key properties of 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole?
2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole has a molecular weight of 2697.49 g/mol, XLogP of 49.28, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-5,6-diphenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-6-phenyl-1,3-benzothiazole;2-[6,9-bis(1,3-benzothiazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzothiazole is sourced from PubChem (CID 158529006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).