5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole

C341H199N29 — CID 158993970

IUPAC5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c32)cc1.c1ccc2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)ccc2c1
InChIInChI=1S/C80H44N6.2C64H36N4.C47H29N5.2C43H27N5/c1-2-11-45(12-3-1)64-43-65(58-37-52-29-23-46-13-8-14-47-24-30-53(38-58)74(52)71(46)47)82-79(81-64)85-69-22-7-5-20-63(69)77-70(85)36-35-62-61-19-4-6-21-68(61)86(78(62)77)80-83-66(59-39-54-31-25-48-15-9-16-49-26-32-55(40-59)75(54)72(48)49)44-67(84-80)60-41-56-33-27-50-17-10-18-51-28-34-57(42-60)76(56)73(50)51;1-2-16-48-37(10-1)11-9-21-54(48)67-56-20-6-4-18-51(56)62-57(67)31-30-50-49-17-3-5-19-55(49)68(63(50)62)64-65-52(46-32-42-26-22-38-12-7-13-39-23-27-43(33-46)60(42)58(38)39)36-53(66-64)47-34-44-28-24-40-14-8-15-41-25-29-45(35-47)61(44)59(40)41;1-2-10-42-35-49(28-27-37(42)9-1)67-56-18-6-4-16-52(56)62-57(67)30-29-51-50-15-3-5-17-55(50)68(63(51)62)64-65-53(47-31-43-23-19-38-11-7-12-39-20-24-44(32-47)60(43)58(38)39)36-54(66-64)48-33-45-25-21-40-13-8-14-41-22-26-46(34-48)61(45)59(40)41;1-2-16-36(17-3-1)51-40-20-10-8-18-37(40)38-26-27-42-43(44(38)51)39-19-9-11-21-41(39)52(42)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-36-23-11-9-21-32(36)33-26-27-38-39(40(33)48)34-22-10-12-24-37(34)47(38)35-25-13-19-28-14-7-8-20-31(28)35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-37-24-12-10-22-34(37)39-38(48)27-26-33-32-21-9-11-23-36(32)47(40(33)39)35-25-13-19-28-14-7-8-20-31(28)35/h1-44H;2*1-36H;1-29H;2*1-27H
InChIKeyJQMWGLILJLZUAX-UHFFFAOYSA-N
MW4702.55 g/mol
LogP87.54
Rot. Bonds26

About 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole

5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole (PubChem CID 158993970) has the molecular formula C341H199N29 and a molecular weight of 4702.55 g/mol. Its IUPAC name is 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
PubChem CID158993970
Molecular FormulaC341H199N29
Molecular Weight4702.55 g/mol
Exact Mass4698.65
IUPAC Name5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c32)cc1.c1ccc2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)ccc2c1
InChIInChI=1S/C80H44N6.2C64H36N4.C47H29N5.2C43H27N5/c1-2-11-45(12-3-1)64-43-65(58-37-52-29-23-46-13-8-14-47-24-30-53(38-58)74(52)71(46)47)82-79(81-64)85-69-22-7-5-20-63(69)77-70(85)36-35-62-61-19-4-6-21-68(61)86(78(62)77)80-83-66(59-39-54-31-25-48-15-9-16-49-26-32-55(40-59)75(54)72(48)49)44-67(84-80)60-41-56-33-27-50-17-10-18-51-28-34-57(42-60)76(56)73(50)51;1-2-16-48-37(10-1)11-9-21-54(48)67-56-20-6-4-18-51(56)62-57(67)31-30-50-49-17-3-5-19-55(49)68(63(50)62)64-65-52(46-32-42-26-22-38-12-7-13-39-23-27-43(33-46)60(42)58(38)39)36-53(66-64)47-34-44-28-24-40-14-8-15-41-25-29-45(35-47)61(44)59(40)41;1-2-10-42-35-49(28-27-37(42)9-1)67-56-18-6-4-16-52(56)62-57(67)30-29-51-50-15-3-5-17-55(50)68(63(51)62)64-65-53(47-31-43-23-19-38-11-7-12-39-20-24-44(32-47)60(43)58(38)39)36-54(66-64)48-33-45-25-21-40-13-8-14-41-22-26-46(34-48)61(45)59(40)41;1-2-16-36(17-3-1)51-40-20-10-8-18-37(40)38-26-27-42-43(44(38)51)39-19-9-11-21-41(39)52(42)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-36-23-11-9-21-32(36)33-26-27-38-39(40(33)48)34-22-10-12-24-37(34)47(38)35-25-13-19-28-14-7-8-20-31(28)35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-37-24-12-10-22-34(37)39-38(48)27-26-33-32-21-9-11-23-36(32)47(40(33)39)35-25-13-19-28-14-7-8-20-31(28)35/h1-44H;2*1-36H;1-29H;2*1-27H
InChIKeyJQMWGLILJLZUAX-UHFFFAOYSA-N
XLogP87.54
TPSA278.29 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004702.55
LogP ≤ 587.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156531291
12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 160857395
12-phenyl-5-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]indolo[3,2-c]carbazole;12-phenyl-5-[6-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 161348228
5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[6-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-2-pyridinyl]indolo[3,2-c]carbazole;5-naphthalen-1-yl-12-[4-phenyl-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[6-(12-phenylindolo[3,2-c]carbazol-5-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159388962
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;12-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 161246731
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240808
5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 160820077
12-naphthalen-1-yl-5-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 158650044
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167680798
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530747

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole (CID 158993970) is 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cc4ccc5cccc6ccc(c3)c4c56)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc6ccccc56)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6ccccc56)c43)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c32)cc1.c1ccc2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6cc7ccc8cccc9ccc(c6)c7c89)cc(-c6cc7ccc8cccc9ccc(c6)c7c89)n5)c34)ccc2c1.
What is the InChIKey of 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The InChIKey is JQMWGLILJLZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44N6.2C64H36N4.C47H29N5.2C43H27N5/c1-2-11-45(12-3-1)64-43-65(58-37-52-29-23-46-13-8-14-47-24-30-53(38-58)74(52)71(46)47)82-79(81-64)85-69-22-7-5-20-63(69)77-70(85)36-35-62-61-19-4-6-21-68(61)86(78(62)77)80-83-66(59-39-54-31-25-48-15-9-16-49-26-32-55(40-59)75(54)72(48)49)44-67(84-80)60-41-56-33-27-50-17-10-18-51-28-34-57(42-60)76(56)73(50)51;1-2-16-48-37(10-1)11-9-21-54(48)67-56-20-6-4-18-51(56)62-57(67)31-30-50-49-17-3-5-19-55(49)68(63(50)62)64-65-52(46-32-42-26-22-38-12-7-13-39-23-27-43(33-46)60(42)58(38)39)36-53(66-64)47-34-44-28-24-40-14-8-15-41-25-29-45(35-47)61(44)59(40)41;1-2-10-42-35-49(28-27-37(42)9-1)67-56-18-6-4-16-52(56)62-57(67)30-29-51-50-15-3-5-17-55(50)68(63(51)62)64-65-53(47-31-43-23-19-38-11-7-12-39-20-24-44(32-47)60(43)58(38)39)36-54(66-64)48-33-45-25-21-40-13-8-14-41-22-26-46(34-48)61(45)59(40)41;1-2-16-36(17-3-1)51-40-20-10-8-18-37(40)38-26-27-42-43(44(38)51)39-19-9-11-21-41(39)52(42)47-49-45(34-24-22-30-12-4-6-14-32(30)28-34)48-46(50-47)35-25-23-31-13-5-7-15-33(31)29-35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-36-23-11-9-21-32(36)33-26-27-38-39(40(33)48)34-22-10-12-24-37(34)47(38)35-25-13-19-28-14-7-8-20-31(28)35;1-3-15-29(16-4-1)41-44-42(30-17-5-2-6-18-30)46-43(45-41)48-37-24-12-10-22-34(37)39-38(48)27-26-33-32-21-9-11-23-36(32)47(40(33)39)35-25-13-19-28-14-7-8-20-31(28)35/h1-44H;2*1-36H;1-29H;2*1-27H.
What are the key properties of 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 4702.55 g/mol, XLogP of 87.54, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 158993970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).