5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C354H222N34O2S2 — CID 163786052

IUPAC5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C5(C)C)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)n2)cc1
InChIInChI=1S/C96H60N10.C90H62N8.C84H50N8O2.C84H50N8S2/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)67-50-53-84(106-83-49-26-22-45-78(83)88-86(106)55-52-76-74-43-20-24-47-81(74)105(90(76)88)71-40-17-6-18-41-71)79(60-67)66-37-27-36-65(56-66)68-57-69(96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)59-72(58-68)103-82-48-25-21-44-77(82)87-85(103)54-51-75-73-42-19-23-46-80(73)104(89(75)87)70-38-15-5-16-39-70;1-89(2)72-40-21-17-36-65(72)67-45-48-77-79(81(67)89)69-38-19-23-42-74(69)97(77)64-52-62(51-63(53-64)88-95-85(57-30-13-7-14-31-57)92-86(96-88)58-32-15-8-16-33-58)59-34-25-35-60(50-59)71-54-61(87-93-83(55-26-9-5-10-27-55)91-84(94-87)56-28-11-6-12-29-56)44-47-76(71)98-75-43-24-20-39-70(75)80-78(98)49-46-68-66-37-18-22-41-73(66)90(3,4)82(68)80;2*1-5-22-51(23-6-1)79-85-80(52-24-7-2-8-25-52)88-83(87-79)57-40-43-70(92-69-37-18-14-35-66(69)76-72(92)45-42-64-62-33-16-20-39-74(62)94-78(64)76)67(50-57)56-31-21-30-55(46-56)58-47-59(84-89-81(53-26-9-3-10-27-53)86-82(90-84)54-28-11-4-12-29-54)49-60(48-58)91-68-36-17-13-34-65(68)75-71(91)44-41-63-61-32-15-19-38-73(61)93-77(63)75/h1-60H;5-54H,1-4H3;2*1-50H
InChIKeyMSQKUOWKCMNRQQ-UHFFFAOYSA-N
MW5048.04 g/mol
LogP89.69
Rot. Bonds42

About 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 163786052) has the molecular formula C354H222N34O2S2 and a molecular weight of 5048.04 g/mol. Its IUPAC name is 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID163786052
Molecular FormulaC354H222N34O2S2
Molecular Weight5048.04 g/mol
Exact Mass5043.78
IUPAC Name5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C5(C)C)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)n2)cc1
InChIInChI=1S/C96H60N10.C90H62N8.C84H50N8O2.C84H50N8S2/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)67-50-53-84(106-83-49-26-22-45-78(83)88-86(106)55-52-76-74-43-20-24-47-81(74)105(90(76)88)71-40-17-6-18-41-71)79(60-67)66-37-27-36-65(56-66)68-57-69(96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)59-72(58-68)103-82-48-25-21-44-77(82)87-85(103)54-51-75-73-42-19-23-46-80(73)104(89(75)87)70-38-15-5-16-39-70;1-89(2)72-40-21-17-36-65(72)67-45-48-77-79(81(67)89)69-38-19-23-42-74(69)97(77)64-52-62(51-63(53-64)88-95-85(57-30-13-7-14-31-57)92-86(96-88)58-32-15-8-16-33-58)59-34-25-35-60(50-59)71-54-61(87-93-83(55-26-9-5-10-27-55)91-84(94-87)56-28-11-6-12-29-56)44-47-76(71)98-75-43-24-20-39-70(75)80-78(98)49-46-68-66-37-18-22-41-73(66)90(3,4)82(68)80;2*1-5-22-51(23-6-1)79-85-80(52-24-7-2-8-25-52)88-83(87-79)57-40-43-70(92-69-37-18-14-35-66(69)76-72(92)45-42-64-62-33-16-20-39-74(62)94-78(64)76)67(50-57)56-31-21-30-55(46-56)58-47-59(84-89-81(53-26-9-3-10-27-53)86-82(90-84)54-28-11-4-12-29-54)49-60(48-58)91-68-36-17-13-34-65(68)75-71(91)44-41-63-61-32-15-19-38-73(61)93-77(63)75/h1-60H;5-54H,1-4H3;2*1-50H
InChIKeyMSQKUOWKCMNRQQ-UHFFFAOYSA-N
XLogP89.69
TPSA384.94 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms392
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005048.04
LogP ≤ 589.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 163786052) is 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C5(C)C)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)cc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c4)cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3)n2)cc1.
What is the InChIKey of 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is MSQKUOWKCMNRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N10.C90H62N8.C84H50N8O2.C84H50N8S2/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)67-50-53-84(106-83-49-26-22-45-78(83)88-86(106)55-52-76-74-43-20-24-47-81(74)105(90(76)88)71-40-17-6-18-41-71)79(60-67)66-37-27-36-65(56-66)68-57-69(96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)59-72(58-68)103-82-48-25-21-44-77(82)87-85(103)54-51-75-73-42-19-23-46-80(73)104(89(75)87)70-38-15-5-16-39-70;1-89(2)72-40-21-17-36-65(72)67-45-48-77-79(81(67)89)69-38-19-23-42-74(69)97(77)64-52-62(51-63(53-64)88-95-85(57-30-13-7-14-31-57)92-86(96-88)58-32-15-8-16-33-58)59-34-25-35-60(50-59)71-54-61(87-93-83(55-26-9-5-10-27-55)91-84(94-87)56-28-11-6-12-29-56)44-47-76(71)98-75-43-24-20-39-70(75)80-78(98)49-46-68-66-37-18-22-41-73(66)90(3,4)82(68)80;2*1-5-22-51(23-6-1)79-85-80(52-24-7-2-8-25-52)88-83(87-79)57-40-43-70(92-69-37-18-14-35-66(69)76-72(92)45-42-64-62-33-16-20-39-74(62)94-78(64)76)67(50-57)56-31-21-30-55(46-56)58-47-59(84-89-81(53-26-9-3-10-27-53)86-82(90-84)54-28-11-4-12-29-54)49-60(48-58)91-68-36-17-13-34-65(68)75-71(91)44-41-63-61-32-15-19-38-73(61)93-77(63)75/h1-60H;5-54H,1-4H3;2*1-50H.
What are the key properties of 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 5048.04 g/mol, XLogP of 89.69, 42 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 163786052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).