6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine

C106H66N10S2 — CID 157104641

IUPAC6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8cnccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8ncccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/2C53H33N5S/c1-3-12-34(13-4-1)35-23-27-38(28-24-35)51-56-50(37-14-5-2-6-15-37)57-52(58-51)39-29-25-36(26-30-39)40-16-9-17-41(32-40)42-18-10-19-43(33-42)48-49-47(44-20-7-8-22-46(44)59-49)45-21-11-31-54-53(45)55-48;1-3-11-34(12-4-1)35-21-25-38(26-22-35)52-56-51(37-13-5-2-6-14-37)57-53(58-52)39-27-23-36(24-28-39)40-15-9-16-41(31-40)42-17-10-18-43(32-42)49-50-48(44-29-30-54-33-46(44)55-49)45-19-7-8-20-47(45)59-50/h2*1-33H
InChIKeyAGDVEDWFTXROLZ-UHFFFAOYSA-N
MW1543.90 g/mol
LogP27.70
Rot. Bonds14

About 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine

6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine (PubChem CID 157104641) has the molecular formula C106H66N10S2 and a molecular weight of 1543.90 g/mol. Its IUPAC name is 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine.

Molecular Properties

Compound Name6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine
PubChem CID157104641
Molecular FormulaC106H66N10S2
Molecular Weight1543.90 g/mol
Exact Mass1542.49
IUPAC Name6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8cnccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8ncccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/2C53H33N5S/c1-3-12-34(13-4-1)35-23-27-38(28-24-35)51-56-50(37-14-5-2-6-15-37)57-52(58-51)39-29-25-36(26-30-39)40-16-9-17-41(32-40)42-18-10-19-43(33-42)48-49-47(44-20-7-8-22-46(44)59-49)45-21-11-31-54-53(45)55-48;1-3-11-34(12-4-1)35-21-25-38(26-22-35)52-56-51(37-13-5-2-6-14-37)57-53(58-52)39-27-23-36(24-28-39)40-15-9-16-41(31-40)42-17-10-18-43(32-42)49-50-48(44-29-30-54-33-46(44)55-49)45-19-7-8-20-47(45)59-50/h2*1-33H
InChIKeyAGDVEDWFTXROLZ-UHFFFAOYSA-N
XLogP27.70
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.90
LogP ≤ 527.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine with MolForge

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Related Compounds

6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159683948
3-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159383757
14-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-thia-15,19-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 146319323
6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129085906
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 158226207
6-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[2,3-c]quinoline
CID 157492373
11-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 162703416
11-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703489
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703566
14-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123648
6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 129087636
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159603642

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine?
The IUPAC name of 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine (CID 157104641) is 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine.
What is the SMILES notation for 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine?
The canonical SMILES for 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8cnccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6cccc(-c7nc8ncccc8c8c7sc7ccccc78)c6)c5)cc4)n3)cc2)cc1.
What is the InChIKey of 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine?
The InChIKey is AGDVEDWFTXROLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H33N5S/c1-3-12-34(13-4-1)35-23-27-38(28-24-35)51-56-50(37-14-5-2-6-15-37)57-52(58-51)39-29-25-36(26-30-39)40-16-9-17-41(32-40)42-18-10-19-43(33-42)48-49-47(44-20-7-8-22-46(44)59-49)45-21-11-31-54-53(45)55-48;1-3-11-34(12-4-1)35-21-25-38(26-22-35)52-56-51(37-13-5-2-6-14-37)57-53(58-52)39-27-23-36(24-28-39)40-15-9-16-41(31-40)42-17-10-18-43(32-42)49-50-48(44-29-30-54-33-46(44)55-49)45-19-7-8-20-47(45)59-50/h2*1-33H.
What are the key properties of 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine?
6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine has a molecular weight of 1543.90 g/mol, XLogP of 27.70, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,7]naphthyridine;6-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c][1,8]naphthyridine is sourced from PubChem (CID 157104641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).