12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

C400H248N40O4S4 — CID 167600353

IUPAC12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)sc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/4C50H31N5O.4C50H31N5S/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39/h8*1-31H
InChIKeyJQINOUCPRILGBX-UHFFFAOYSA-N
MW5806.93 g/mol
LogP102.66
Rot. Bonds48

About 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole

12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 167600353) has the molecular formula C400H248N40O4S4 and a molecular weight of 5806.93 g/mol. Its IUPAC name is 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID167600353
Molecular FormulaC400H248N40O4S4
Molecular Weight5806.93 g/mol
Exact Mass5801.93
IUPAC Name12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)sc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/4C50H31N5O.4C50H31N5S/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39/h8*1-31H
InChIKeyJQINOUCPRILGBX-UHFFFAOYSA-N
XLogP102.66
TPSA504.48 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds48
Heavy Atoms448
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005806.93
LogP ≤ 5102.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole (CID 167600353) is 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6oc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4c6sc7ccccc7c6ccc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)sc4ccccc46)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4cc6sc7ccccc7c6cc4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7oc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)c4ccc6c7ccccc7sc6c4n5-c4ccccc4)cc3)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is JQINOUCPRILGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H31N5O.4C50H31N5S/c1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-27-44-43(30-36)41-25-26-42-40-18-7-8-19-45(40)56-47(42)46(41)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(29-37)38-15-10-28-51-31-38)34-22-20-32(21-23-34)36-24-26-43-42(30-36)46-44(55(43)39-16-5-2-6-17-39)27-25-41-40-18-7-8-19-45(40)56-47(41)46;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-30-47-43(40-18-7-8-19-46(40)56-47)29-45(42)55(44)39-16-5-2-6-17-39;1-3-11-33(12-4-1)48-52-49(54-50(53-48)37-14-9-13-35(27-37)38-15-10-26-51-31-38)34-22-20-32(21-23-34)36-24-25-44-41(28-36)42-29-43-40-18-7-8-19-46(40)56-47(43)30-45(42)55(44)39-16-5-2-6-17-39/h8*1-31H.
What are the key properties of 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole?
12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 5806.93 g/mol, XLogP of 102.66, 48 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole;12-phenyl-3-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;7-phenyl-10-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole;11-phenyl-8-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-phenyl-2-[4-[4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 167600353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).