2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole

C39H29N5S — CID 164705919

IUPAC2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESCN1c2ccccc2N(c2cccc(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C39H29N5S/c1-41-27-15-4-8-19-31(27)43(32-20-9-5-16-28(32)41)35-23-13-24-36(38(35)39-40-26-14-3-12-25-37(26)45-39)44-33-21-10-6-17-29(33)42(2)30-18-7-11-22-34(30)44/h3-25H,1-2H3
InChIKeyJQKWFDVZNMYVKZ-UHFFFAOYSA-N
MW599.76 g/mol
LogP11.07
Rot. Bonds3

About 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole

2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole (PubChem CID 164705919) has the molecular formula C39H29N5S and a molecular weight of 599.76 g/mol. Its IUPAC name is 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
PubChem CID164705919
Molecular FormulaC39H29N5S
Molecular Weight599.76 g/mol
Exact Mass599.21
IUPAC Name2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
SMILESCN1c2ccccc2N(c2cccc(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C39H29N5S/c1-41-27-15-4-8-19-31(27)43(32-20-9-5-16-28(32)41)35-23-13-24-36(38(35)39-40-26-14-3-12-25-37(26)45-39)44-33-21-10-6-17-29(33)42(2)30-18-7-11-22-34(30)44/h3-25H,1-2H3
InChIKeyJQKWFDVZNMYVKZ-UHFFFAOYSA-N
XLogP11.07
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,4,5-tris(1,3-benzothiazol-2-yl)-3,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 164706104
2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 140607089
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
2-[3,5-bis(1,3-benzothiazol-2-yl)-2,4-bis(9,9-dimethylacridin-10-yl)-6-phenylphenyl]-1,3-benzothiazole
CID 164705954
2-[2,6-bis(4-methylphenyl)phenyl]-1,3-benzothiazole
CID 102455086
2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
CID 132514015
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
10-[3-[2,4-bis[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-phenothiazin-10-ylphenyl)-5,6-diphenylphenyl]phenyl]phenothiazine
CID 164705957
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 2735376
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole (CID 164705919) is 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole is CN1c2ccccc2N(c2cccc(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole?
The InChIKey is JQKWFDVZNMYVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N5S/c1-41-27-15-4-8-19-31(27)43(32-20-9-5-16-28(32)41)35-23-13-24-36(38(35)39-40-26-14-3-12-25-37(26)45-39)44-33-21-10-6-17-29(33)42(2)30-18-7-11-22-34(30)44/h3-25H,1-2H3.
What are the key properties of 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole?
2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole has a molecular weight of 599.76 g/mol, XLogP of 11.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 164705919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).