2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine

C80H65N9O5S6 — CID 90815043

IUPAC2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(-c4cc(-c5ccc(-c6nc7ccc(N(C)C)cc7o6)s5)cc(-c5ccc(-c6nc7ccc(N(C)C)cc7s6)s5)c4)cc3)oc2c1.COc1cc2sc(-c3cc(-c4nc5cc(C)c(OC)cc5s4)cc(-c4nc5cc(C)c(OC)cc5s4)c3)nc2cc1C
InChIInChI=1S/C47H38N6O2S3.C33H27N3O3S3/c1-51(2)32-11-14-35-38(24-32)54-45(48-35)28-9-7-27(8-10-28)29-21-30(40-17-19-42(56-40)46-49-36-15-12-33(52(3)4)25-39(36)55-46)23-31(22-29)41-18-20-43(57-41)47-50-37-16-13-34(53(5)6)26-44(37)58-47;1-16-7-22-28(13-25(16)37-4)40-31(34-22)19-10-20(32-35-23-8-17(2)26(38-5)14-29(23)41-32)12-21(11-19)33-36-24-9-18(3)27(39-6)15-30(24)42-33/h7-26H,1-6H3;7-15H,1-6H3
InChIKeyLKBNPVKKVWIBIP-UHFFFAOYSA-N
MW1424.86 g/mol
LogP22.37
Rot. Bonds15

About 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine

2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine (PubChem CID 90815043) has the molecular formula C80H65N9O5S6 and a molecular weight of 1424.86 g/mol. Its IUPAC name is 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine
PubChem CID90815043
Molecular FormulaC80H65N9O5S6
Molecular Weight1424.86 g/mol
Exact Mass1423.34
IUPAC Name2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine
SMILESCN(C)c1ccc2nc(-c3ccc(-c4cc(-c5ccc(-c6nc7ccc(N(C)C)cc7o6)s5)cc(-c5ccc(-c6nc7ccc(N(C)C)cc7s6)s5)c4)cc3)oc2c1.COc1cc2sc(-c3cc(-c4nc5cc(C)c(OC)cc5s4)cc(-c4nc5cc(C)c(OC)cc5s4)c3)nc2cc1C
InChIInChI=1S/C47H38N6O2S3.C33H27N3O3S3/c1-51(2)32-11-14-35-38(24-32)54-45(48-35)28-9-7-27(8-10-28)29-21-30(40-17-19-42(56-40)46-49-36-15-12-33(52(3)4)25-39(36)55-46)23-31(22-29)41-18-20-43(57-41)47-50-37-16-13-34(53(5)6)26-44(37)58-47;1-16-7-22-28(13-25(16)37-4)40-31(34-22)19-10-20(32-35-23-8-17(2)26(38-5)14-29(23)41-32)12-21(11-19)33-36-24-9-18(3)27(39-6)15-30(24)42-33/h7-26H,1-6H3;7-15H,1-6H3
InChIKeyLKBNPVKKVWIBIP-UHFFFAOYSA-N
XLogP22.37
TPSA141.03 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001424.86
LogP ≤ 522.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine (CID 90815043) is 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine is CN(C)c1ccc2nc(-c3ccc(-c4cc(-c5ccc(-c6nc7ccc(N(C)C)cc7o6)s5)cc(-c5ccc(-c6nc7ccc(N(C)C)cc7s6)s5)c4)cc3)oc2c1.COc1cc2sc(-c3cc(-c4nc5cc(C)c(OC)cc5s4)cc(-c4nc5cc(C)c(OC)cc5s4)c3)nc2cc1C.
What is the InChIKey of 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine?
The InChIKey is LKBNPVKKVWIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N6O2S3.C33H27N3O3S3/c1-51(2)32-11-14-35-38(24-32)54-45(48-35)28-9-7-27(8-10-28)29-21-30(40-17-19-42(56-40)46-49-36-15-12-33(52(3)4)25-39(36)55-46)23-31(22-29)41-18-20-43(57-41)47-50-37-16-13-34(53(5)6)26-44(37)58-47;1-16-7-22-28(13-25(16)37-4)40-31(34-22)19-10-20(32-35-23-8-17(2)26(38-5)14-29(23)41-32)12-21(11-19)33-36-24-9-18(3)27(39-6)15-30(24)42-33/h7-26H,1-6H3;7-15H,1-6H3.
What are the key properties of 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine?
2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine has a molecular weight of 1424.86 g/mol, XLogP of 22.37, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(6-methoxy-5-methyl-1,3-benzothiazol-2-yl)phenyl]-6-methoxy-5-methyl-1,3-benzothiazole;2-[4-[3-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]thiophen-2-yl]-5-[5-[6-(dimethylamino)-1,3-benzoxazol-2-yl]thiophen-2-yl]phenyl]phenyl]-N,N-dimethyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 90815043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).