12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine

C356H225N37O11S — CID 159483221

IUPAC12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
SMILESCC(C)c1c(C(C)C)c2c(c3ccccc3n2-c2ccnc(-c3ccc4oc5ccccc5c4c3)n2)c2c1c1ccccc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.CC(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)C)ccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c31)n2-c1cccc2c1Oc1ccccc1N2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5ccc6ccccc65)cc4c4c3ccc3c5cc(-n6ccc7ccccc76)ccc5n(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)c34)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1nc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ccc6cccnc6c5n4)c32)n1.c1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7occc7c6)c45)n3)cc12.c1ccc2oc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)n5)c34)nc2c1
InChIInChI=1S/C67H49N7O.C66H40N8O.C59H44N4OS.C57H33N9O2.C54H30N4O3.C53H29N5O3/c1-40(2)58-59(41(3)4)62-61(51-29-12-14-30-53(51)73(62)57-35-36-68-64(69-57)48-33-34-56-52(39-48)49-27-13-16-32-55(49)75-56)63-60(58)50-28-11-15-31-54(50)74(63)67-71-65(46-25-17-23-44(37-46)42-19-7-5-8-20-42)70-66(72-67)47-26-18-24-45(38-47)43-21-9-6-10-22-43;1-3-16-43(17-4-1)64-68-65(44-18-5-2-6-19-44)70-66(69-64)73-57-31-28-47(72-37-35-42-15-8-11-23-55(42)72)40-52(57)62-58(73)32-29-49-50-39-46(71-36-34-41-14-7-10-22-54(41)71)27-30-56(50)74(63(49)62)61-25-13-21-53(67-61)45-26-33-60-51(38-45)48-20-9-12-24-59(48)75-60;1-35(2)37-24-28-47-43(32-37)42-27-30-50-57(58(42)63(47)56-23-12-17-46(60-56)39-26-31-55-44(34-39)41-16-8-11-22-54(41)65-55)45-33-38(36(3)4)25-29-48(45)62(50)52-20-13-19-51-59(52)64-53-21-10-9-18-49(53)61(51)40-14-6-5-7-15-40;1-3-17-39-36(15-1)37-30-31-45-51(38-16-2-4-18-40(38)63(45)50-32-29-35-28-27-34-14-13-33-58-52(34)53(35)59-50)54(37)66(39)57-61-55(64-41-19-5-9-23-46(41)67-47-24-10-6-20-42(47)64)60-56(62-57)65-43-21-7-11-25-48(43)68-49-26-12-8-22-44(49)65;1-6-16-43-34(11-1)37-23-24-45-52(38-14-2-7-17-44(38)57(45)54-56-41-15-5-10-20-50(41)61-54)53(37)58(43)51-30-33(31-21-25-48-39(27-31)35-12-3-8-18-46(35)59-48)29-42(55-51)32-22-26-49-40(28-32)36-13-4-9-19-47(36)60-49;1-5-13-41-34(9-1)37-20-21-43-49(50(37)57(41)33-19-24-44-30(27-33)25-26-59-44)38-12-2-6-14-42(38)58(43)53-55-51(31-17-22-47-39(28-31)35-10-3-7-15-45(35)60-47)54-52(56-53)32-18-23-48-40(29-32)36-11-4-8-16-46(36)61-48/h5-41H,1-4H3;1-40H;5-36H,1-4H3;1-33H;1-30H;1-29H
InChIKeyLXGKVZMSKSAJHH-UHFFFAOYSA-N
MW5229.03 g/mol
LogP93.53
Rot. Bonds34

About 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine

12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine (PubChem CID 159483221) has the molecular formula C356H225N37O11S and a molecular weight of 5229.03 g/mol. Its IUPAC name is 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine.

Molecular Properties

Compound Name12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
PubChem CID159483221
Molecular FormulaC356H225N37O11S
Molecular Weight5229.03 g/mol
Exact Mass5224.79
IUPAC Name12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
SMILESCC(C)c1c(C(C)C)c2c(c3ccccc3n2-c2ccnc(-c3ccc4oc5ccccc5c4c3)n2)c2c1c1ccccc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.CC(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)C)ccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c31)n2-c1cccc2c1Oc1ccccc1N2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5ccc6ccccc65)cc4c4c3ccc3c5cc(-n6ccc7ccccc76)ccc5n(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)c34)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1nc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ccc6cccnc6c5n4)c32)n1.c1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7occc7c6)c45)n3)cc12.c1ccc2oc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)n5)c34)nc2c1
InChIInChI=1S/C67H49N7O.C66H40N8O.C59H44N4OS.C57H33N9O2.C54H30N4O3.C53H29N5O3/c1-40(2)58-59(41(3)4)62-61(51-29-12-14-30-53(51)73(62)57-35-36-68-64(69-57)48-33-34-56-52(39-48)49-27-13-16-32-55(49)75-56)63-60(58)50-28-11-15-31-54(50)74(63)67-71-65(46-25-17-23-44(37-46)42-19-7-5-8-20-42)70-66(72-67)47-26-18-24-45(38-47)43-21-9-6-10-22-43;1-3-16-43(17-4-1)64-68-65(44-18-5-2-6-19-44)70-66(69-64)73-57-31-28-47(72-37-35-42-15-8-11-23-55(42)72)40-52(57)62-58(73)32-29-49-50-39-46(71-36-34-41-14-7-10-22-54(41)71)27-30-56(50)74(63(49)62)61-25-13-21-53(67-61)45-26-33-60-51(38-45)48-20-9-12-24-59(48)75-60;1-35(2)37-24-28-47-43(32-37)42-27-30-50-57(58(42)63(47)56-23-12-17-46(60-56)39-26-31-55-44(34-39)41-16-8-11-22-54(41)65-55)45-33-38(36(3)4)25-29-48(45)62(50)52-20-13-19-51-59(52)64-53-21-10-9-18-49(53)61(51)40-14-6-5-7-15-40;1-3-17-39-36(15-1)37-30-31-45-51(38-16-2-4-18-40(38)63(45)50-32-29-35-28-27-34-14-13-33-58-52(34)53(35)59-50)54(37)66(39)57-61-55(64-41-19-5-9-23-46(41)67-47-24-10-6-20-42(47)64)60-56(62-57)65-43-21-7-11-25-48(43)68-49-26-12-8-22-44(49)65;1-6-16-43-34(11-1)37-23-24-45-52(38-14-2-7-17-44(38)57(45)54-56-41-15-5-10-20-50(41)61-54)53(37)58(43)51-30-33(31-21-25-48-39(27-31)35-12-3-8-18-46(35)59-48)29-42(55-51)32-22-26-49-40(28-32)36-13-4-9-19-47(36)60-49;1-5-13-41-34(9-1)37-20-21-43-49(50(37)57(41)33-19-24-44-30(27-33)25-26-59-44)38-12-2-6-14-42(38)58(43)53-55-51(31-17-22-47-39(28-31)35-10-3-7-15-45(35)60-47)54-52(56-53)32-18-23-48-40(29-32)36-11-4-8-16-46(36)61-48/h5-41H,1-4H3;1-40H;5-36H,1-4H3;1-33H;1-30H;1-29H
InChIKeyLXGKVZMSKSAJHH-UHFFFAOYSA-N
XLogP93.53
TPSA469.35 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds34
Heavy Atoms405
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005229.03
LogP ≤ 593.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine?
The IUPAC name of 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine (CID 159483221) is 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine.
What is the SMILES notation for 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine?
The canonical SMILES for 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine is CC(C)c1c(C(C)C)c2c(c3ccccc3n2-c2ccnc(-c3ccc4oc5ccccc5c4c3)n2)c2c1c1ccccc1n2-c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2cccc(-c3ccccc3)c2)n1.CC(C)c1ccc2c(c1)c1c(ccc3c4cc(C(C)C)ccc4n(-c4cccc(-c5ccc6sc7ccccc7c6c5)n4)c31)n2-c1cccc2c1Oc1ccccc1N2c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5ccc6ccccc65)cc4c4c3ccc3c5cc(-n6ccc7ccccc76)ccc5n(-c5cccc(-c6ccc7oc8ccccc8c7c6)n5)c34)n2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1nc(N2c3ccccc3Oc3ccccc32)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5ccc6cccnc6c5n4)c32)n1.c1ccc2c(c1)oc1ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7occc7c6)c45)n3)cc12.c1ccc2oc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)n5)c34)nc2c1.
What is the InChIKey of 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine?
The InChIKey is LXGKVZMSKSAJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N7O.C66H40N8O.C59H44N4OS.C57H33N9O2.C54H30N4O3.C53H29N5O3/c1-40(2)58-59(41(3)4)62-61(51-29-12-14-30-53(51)73(62)57-35-36-68-64(69-57)48-33-34-56-52(39-48)49-27-13-16-32-55(49)75-56)63-60(58)50-28-11-15-31-54(50)74(63)67-71-65(46-25-17-23-44(37-46)42-19-7-5-8-20-42)70-66(72-67)47-26-18-24-45(38-47)43-21-9-6-10-22-43;1-3-16-43(17-4-1)64-68-65(44-18-5-2-6-19-44)70-66(69-64)73-57-31-28-47(72-37-35-42-15-8-11-23-55(42)72)40-52(57)62-58(73)32-29-49-50-39-46(71-36-34-41-14-7-10-22-54(41)71)27-30-56(50)74(63(49)62)61-25-13-21-53(67-61)45-26-33-60-51(38-45)48-20-9-12-24-59(48)75-60;1-35(2)37-24-28-47-43(32-37)42-27-30-50-57(58(42)63(47)56-23-12-17-46(60-56)39-26-31-55-44(34-39)41-16-8-11-22-54(41)65-55)45-33-38(36(3)4)25-29-48(45)62(50)52-20-13-19-51-59(52)64-53-21-10-9-18-49(53)61(51)40-14-6-5-7-15-40;1-3-17-39-36(15-1)37-30-31-45-51(38-16-2-4-18-40(38)63(45)50-32-29-35-28-27-34-14-13-33-58-52(34)53(35)59-50)54(37)66(39)57-61-55(64-41-19-5-9-23-46(41)67-47-24-10-6-20-42(47)64)60-56(62-57)65-43-21-7-11-25-48(43)68-49-26-12-8-22-44(49)65;1-6-16-43-34(11-1)37-23-24-45-52(38-14-2-7-17-44(38)57(45)54-56-41-15-5-10-20-50(41)61-54)53(37)58(43)51-30-33(31-21-25-48-39(27-31)35-12-3-8-18-46(35)59-48)29-42(55-51)32-22-26-49-40(28-32)36-13-4-9-19-47(36)60-49;1-5-13-41-34(9-1)37-20-21-43-49(50(37)57(41)33-19-24-44-30(27-33)25-26-59-44)38-12-2-6-14-42(38)58(43)53-55-51(31-17-22-47-39(28-31)35-10-3-7-15-45(35)60-47)54-52(56-53)32-18-23-48-40(29-32)36-11-4-8-16-46(36)61-48/h5-41H,1-4H3;1-40H;5-36H,1-4H3;1-33H;1-30H;1-29H.
What are the key properties of 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine?
12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine has a molecular weight of 5229.03 g/mol, XLogP of 93.53, 34 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1-benzofuran-5-yl)-5-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzofuran-2-ylpyrimidin-4-yl)-6,7-di(propan-2-yl)indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-di(indol-1-yl)indolo[3,2-c]carbazole;4-[12-(6-dibenzothiophen-2-yl-2-pyridinyl)-2,9-di(propan-2-yl)indolo[3,2-c]carbazol-5-yl]-10-phenylphenoxazine;2-[12-[4,6-di(dibenzofuran-2-yl)-2-pyridinyl]indolo[3,2-c]carbazol-5-yl]-1,3-benzoxazole;10-[4-[5-(1,10-phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine is sourced from PubChem (CID 159483221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).