6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

C319H201N26O2P — CID 164953856

IUPAC6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)c2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6c6cc8c(cc6n7-c6ccccc6)c(-c6ccccc6)nc6ccccc68)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1
InChIInChI=1S/C58H36N6.C58H35N5O.C55H34N4.C55H37N2OP.C47H30N4.C46H29N5/c1-4-17-37(18-5-1)55-49-36-54-48(35-46(49)43-25-10-13-28-50(43)59-55)47-34-40(31-32-53(47)63(54)41-22-8-3-9-23-41)58-61-56(38-19-6-2-7-20-38)60-57(62-58)39-21-16-24-42(33-39)64-51-29-14-11-26-44(51)45-27-12-15-30-52(45)64;1-4-15-37(16-5-1)54-49-35-52-48(34-46(49)43-21-10-12-25-50(43)59-54)47-33-40(31-32-51(47)63(52)41-19-8-3-9-20-41)58-61-56(38-17-6-2-7-18-38)60-57(62-58)39-29-27-36(28-30-39)42-23-14-24-45-44-22-11-13-26-53(44)64-55(42)45;1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-22-50-52(42)46-33-44-43-19-10-11-21-49(43)58-53(38-15-6-2-7-16-38)45(44)34-51(46)59(50)41-17-8-3-9-18-41;58-59(43-23-9-3-10-24-43,44-25-11-4-12-26-44)45-33-31-38(32-34-45)40-19-15-20-41(35-40)46-28-16-30-52-54(46)50-36-48-47-27-13-14-29-51(47)56-55(39-17-5-1-6-18-39)49(48)37-53(50)57(52)42-21-7-2-8-22-42;1-5-15-31(16-6-1)42-30-43(50-47(49-42)33-19-9-3-10-20-33)34-25-26-44-38(27-34)39-28-37-36-23-13-14-24-41(36)48-46(32-17-7-2-8-18-32)40(37)29-45(39)51(44)35-21-11-4-12-22-35;1-5-15-30(16-6-1)43-39-29-42-38(28-36(39)35-23-13-14-24-40(35)47-43)37-27-33(25-26-41(37)51(42)34-21-11-4-12-22-34)46-49-44(31-17-7-2-8-18-31)48-45(50-46)32-19-9-3-10-20-32/h1-36H;1-35H;1-34H;1-37H;1-30H;1-29H
InChIKeyAXBMWEIIABQBAB-UHFFFAOYSA-N
MW4461.27 g/mol
LogP80.00
Rot. Bonds34

About 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (PubChem CID 164953856) has the molecular formula C319H201N26O2P and a molecular weight of 4461.27 g/mol. Its IUPAC name is 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

Molecular Properties

Compound Name6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
PubChem CID164953856
Molecular FormulaC319H201N26O2P
Molecular Weight4461.27 g/mol
Exact Mass4457.62
IUPAC Name6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)c2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6c6cc8c(cc6n7-c6ccccc6)c(-c6ccccc6)nc6ccccc68)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1
InChIInChI=1S/C58H36N6.C58H35N5O.C55H34N4.C55H37N2OP.C47H30N4.C46H29N5/c1-4-17-37(18-5-1)55-49-36-54-48(35-46(49)43-25-10-13-28-50(43)59-55)47-34-40(31-32-53(47)63(54)41-22-8-3-9-23-41)58-61-56(38-19-6-2-7-20-38)60-57(62-58)39-21-16-24-42(33-39)64-51-29-14-11-26-44(51)45-27-12-15-30-52(45)64;1-4-15-37(16-5-1)54-49-35-52-48(34-46(49)43-21-10-12-25-50(43)59-54)47-33-40(31-32-51(47)63(52)41-19-8-3-9-20-41)58-61-56(38-17-6-2-7-18-38)60-57(62-58)39-29-27-36(28-30-39)42-23-14-24-45-44-22-11-13-26-53(44)64-55(42)45;1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-22-50-52(42)46-33-44-43-19-10-11-21-49(43)58-53(38-15-6-2-7-16-38)45(44)34-51(46)59(50)41-17-8-3-9-18-41;58-59(43-23-9-3-10-24-43,44-25-11-4-12-26-44)45-33-31-38(32-34-45)40-19-15-20-41(35-40)46-28-16-30-52-54(46)50-36-48-47-27-13-14-29-51(47)56-55(39-17-5-1-6-18-39)49(48)37-53(50)57(52)42-21-7-2-8-22-42;1-5-15-31(16-6-1)42-30-43(50-47(49-42)33-19-9-3-10-20-33)34-25-26-44-38(27-34)39-28-37-36-23-13-14-24-41(36)48-46(32-17-7-2-8-18-32)40(37)29-45(39)51(44)35-21-11-4-12-22-35;1-5-15-30(16-6-1)43-39-29-42-38(28-36(39)35-23-13-14-24-40(35)47-43)37-27-33(25-26-41(37)51(42)34-21-11-4-12-22-34)46-49-44(31-17-7-2-8-18-31)48-45(50-46)32-19-9-3-10-20-32/h1-36H;1-35H;1-34H;1-37H;1-30H;1-29H
InChIKeyAXBMWEIIABQBAB-UHFFFAOYSA-N
XLogP80.00
TPSA309.63 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004461.27
LogP ≤ 580.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The IUPAC name of 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (CID 164953856) is 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.
What is the SMILES notation for 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The canonical SMILES for 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cccc(-c3cccc4c3c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)c2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6c6cc8c(cc6n7-c6ccccc6)c(-c6ccccc6)nc6ccccc68)cc5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c(-c3ccccc3)nc3ccccc35)n2)cc1.
What is the InChIKey of 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
The InChIKey is AXBMWEIIABQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6.C58H35N5O.C55H34N4.C55H37N2OP.C47H30N4.C46H29N5/c1-4-17-37(18-5-1)55-49-36-54-48(35-46(49)43-25-10-13-28-50(43)59-55)47-34-40(31-32-53(47)63(54)41-22-8-3-9-23-41)58-61-56(38-19-6-2-7-20-38)60-57(62-58)39-21-16-24-42(33-39)64-51-29-14-11-26-44(51)45-27-12-15-30-52(45)64;1-4-15-37(16-5-1)54-49-35-52-48(34-46(49)43-21-10-12-25-50(43)59-54)47-33-40(31-32-51(47)63(52)41-19-8-3-9-20-41)58-61-56(38-17-6-2-7-18-38)60-57(62-58)39-29-27-36(28-30-39)42-23-14-24-45-44-22-11-13-26-53(44)64-55(42)45;1-4-13-36(14-5-1)47-31-29-39-27-28-40-30-32-48(57-55(40)54(39)56-47)37-25-23-35(24-26-37)42-20-12-22-50-52(42)46-33-44-43-19-10-11-21-49(43)58-53(38-15-6-2-7-16-38)45(44)34-51(46)59(50)41-17-8-3-9-18-41;58-59(43-23-9-3-10-24-43,44-25-11-4-12-26-44)45-33-31-38(32-34-45)40-19-15-20-41(35-40)46-28-16-30-52-54(46)50-36-48-47-27-13-14-29-51(47)56-55(39-17-5-1-6-18-39)49(48)37-53(50)57(52)42-21-7-2-8-22-42;1-5-15-31(16-6-1)42-30-43(50-47(49-42)33-19-9-3-10-20-33)34-25-26-44-38(27-34)39-28-37-36-23-13-14-24-41(36)48-46(32-17-7-2-8-18-32)40(37)29-45(39)51(44)35-21-11-4-12-22-35;1-5-15-30(16-6-1)43-39-29-42-38(28-36(39)35-23-13-14-24-40(35)47-43)37-27-33(25-26-41(37)51(42)34-21-11-4-12-22-34)46-49-44(31-17-7-2-8-18-31)48-45(50-46)32-19-9-3-10-20-32/h1-36H;1-35H;1-34H;1-37H;1-30H;1-29H.
What are the key properties of 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?
6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene has a molecular weight of 4461.27 g/mol, XLogP of 80.00, 34 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,14-diphenyl-5-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;5-[3-(4-diphenylphosphorylphenyl)phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;6-(2,6-diphenylpyrimidin-4-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is sourced from PubChem (CID 164953856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).