11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole

C41H26N4S — CID 164782301

IUPAC11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C41H26N4S/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26H
InChIKeyFOIDZSDVABVJCO-UHFFFAOYSA-N
MW606.75 g/mol
LogP10.83
Rot. Bonds5

About 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole

11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole (PubChem CID 164782301) has the molecular formula C41H26N4S and a molecular weight of 606.75 g/mol. Its IUPAC name is 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
PubChem CID164782301
Molecular FormulaC41H26N4S
Molecular Weight606.75 g/mol
Exact Mass606.19
IUPAC Name11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)n3)cc2)cc1
InChIInChI=1S/C41H26N4S/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26H
InChIKeyFOIDZSDVABVJCO-UHFFFAOYSA-N
XLogP10.83
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.75
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782376
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782495
11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 165071486
11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782249
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-1-ylindolo[2,1-b][1,3]benzothiazole
CID 164782437
11-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782499
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole
CID 164782197
21-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 164757186
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
10-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 121286300
21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757229

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole (CID 164782301) is 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6n6c5sc5ccccc56)cc4)n3)cc2)cc1.
What is the InChIKey of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The InChIKey is FOIDZSDVABVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4S/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26H.
What are the key properties of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole?
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole has a molecular weight of 606.75 g/mol, XLogP of 10.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 164782301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).