29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene

C51H31N5S — CID 167185285

IUPAC29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6cccc7c6n(c5c43)-c3ccccc3-c3ccccc3-7)N=C(c3ccc4sc5ccccc5c4c3)N2)cc1
InChIInChI=1S/C51H31N5S/c1-2-13-30(14-3-1)49-52-50(31-25-28-45-41(29-31)36-19-8-11-24-44(36)57-45)54-51(53-49)56-43-23-10-7-18-35(43)39-26-27-40-38-21-12-20-37-33-16-5-4-15-32(33)34-17-6-9-22-42(34)55(46(37)38)47(40)48(39)56/h1-29,51H,(H,52,53,54)
InChIKeyGLBFNUODGKBJIA-UHFFFAOYSA-N
MW745.91 g/mol
LogP12.86
Rot. Bonds3

About 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene

29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene (PubChem CID 167185285) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene.

Molecular Properties

Compound Name29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene
PubChem CID167185285
Molecular FormulaC51H31N5S
Molecular Weight745.91 g/mol
Exact Mass745.23
IUPAC Name29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6cccc7c6n(c5c43)-c3ccccc3-c3ccccc3-7)N=C(c3ccc4sc5ccccc5c4c3)N2)cc1
InChIInChI=1S/C51H31N5S/c1-2-13-30(14-3-1)49-52-50(31-25-28-45-41(29-31)36-19-8-11-24-44(36)57-45)54-51(53-49)56-43-23-10-7-18-35(43)39-26-27-40-38-21-12-20-37-33-16-5-4-15-32(33)34-17-6-9-22-42(34)55(46(37)38)47(40)48(39)56/h1-29,51H,(H,52,53,54)
InChIKeyGLBFNUODGKBJIA-UHFFFAOYSA-N
XLogP12.86
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 512.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene with MolForge

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Related Compounds

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5-(3-phenylphenyl)-12-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]indolo[3,2-c]carbazole
CID 167216997
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9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
2-[2-[12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzothiazole
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9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
4-[8-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163594351
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
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6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene?
The IUPAC name of 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene (CID 167185285) is 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene.
What is the SMILES notation for 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene?
The canonical SMILES for 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene is c1ccc(C2=NC(n3c4ccccc4c4ccc5c6cccc7c6n(c5c43)-c3ccccc3-c3ccccc3-7)N=C(c3ccc4sc5ccccc5c4c3)N2)cc1.
What is the InChIKey of 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene?
The InChIKey is GLBFNUODGKBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-2-13-30(14-3-1)49-52-50(31-25-28-45-41(29-31)36-19-8-11-24-44(36)57-45)54-51(53-49)56-43-23-10-7-18-35(43)39-26-27-40-38-21-12-20-37-33-16-5-4-15-32(33)34-17-6-9-22-42(34)55(46(37)38)47(40)48(39)56/h1-29,51H,(H,52,53,54).
What are the key properties of 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene?
29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene has a molecular weight of 745.91 g/mol, XLogP of 12.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 29-(2-dibenzothiophen-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)-1,29-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.022,30.023,28]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22(30),23,25,27-pentadecaene is sourced from PubChem (CID 167185285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).