2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile

C388H256F3N31O10 — CID 165077087

IUPAC2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESCc1cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C122H84F3N9O5.2C85H51N7.C83H59N7O5.C13H11N/c1-73-64-76(66-77(65-73)122(123,124)125)116-74(2)75(3)118(132-105-50-24-12-38-90(105)91-39-13-25-51-106(91)132)120(119(116)133-107-52-26-14-40-92(107)93-41-15-27-53-108(93)133)134-109-58-55-78(135-60-28-62-137-80-54-57-94-112(69-80)139-121-111(128-97-42-16-4-30-82(97)83-31-5-17-43-98(83)128)72-115(127-117(94)121)131-103-48-22-10-36-88(103)89-37-11-23-49-104(89)131)67-95(109)96-68-79(56-59-110(96)134)136-61-29-63-138-81-70-113(129-99-44-18-6-32-84(99)85-33-7-19-45-100(85)129)126-114(71-81)130-101-46-20-8-34-86(101)87-35-9-21-47-102(87)130;86-52-53-46-48-54(49-47-53)78-81(88-68-37-15-4-26-56(68)57-27-5-16-38-69(57)88)83(90-72-41-19-8-30-60(72)61-31-9-20-42-73(61)90)85(92-76-45-23-13-35-66(76)79-77(92)51-50-65-64-34-12-14-36-67(64)87(80(65)79)55-24-2-1-3-25-55)84(91-74-43-21-10-32-62(74)63-33-11-22-44-75(63)91)82(78)89-70-39-17-6-28-58(70)59-29-7-18-40-71(59)89;86-52-53-46-48-54(49-47-53)78-81(88-67-36-14-4-26-56(67)57-27-5-15-37-68(57)88)83(90-71-40-18-8-30-60(71)61-31-9-19-41-72(61)90)85(92-75-44-22-12-34-64(75)65-50-51-77-79(80(65)92)66-35-13-23-45-76(66)87(77)55-24-2-1-3-25-55)84(91-73-42-20-10-32-62(73)63-33-11-21-43-74(63)91)82(78)89-69-38-16-6-28-58(69)59-29-7-17-39-70(59)89;1-86-67-40-37-52(91-42-18-44-93-54-36-39-64-78(48-54)95-83-77(87-69-28-10-2-20-56(69)57-21-3-11-29-70(57)87)51-81(85-82(64)83)90-75-34-16-8-26-62(75)63-27-9-17-35-76(63)90)46-65(67)66-47-53(38-41-68(66)86)92-43-19-45-94-55-49-79(88-71-30-12-4-22-58(71)59-23-5-13-31-72(59)88)84-80(50-55)89-73-32-14-6-24-60(73)61-25-7-15-33-74(61)89;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h4-27,30-59,64-72H,28-29,60-63H2,1-3H3;2*1-51H;2-17,20-41,46-51H,18-19,42-45H2,1H3;2-9H,1H3
InChIKeyUMGPLCHANRNEDD-UHFFFAOYSA-N
MW5569.52 g/mol
LogP98.41
Rot. Bonds50

About 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile

2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile (PubChem CID 165077087) has the molecular formula C388H256F3N31O10 and a molecular weight of 5569.52 g/mol. Its IUPAC name is 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
PubChem CID165077087
Molecular FormulaC388H256F3N31O10
Molecular Weight5569.52 g/mol
Exact Mass5565.04
IUPAC Name2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
SMILESCc1cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C122H84F3N9O5.2C85H51N7.C83H59N7O5.C13H11N/c1-73-64-76(66-77(65-73)122(123,124)125)116-74(2)75(3)118(132-105-50-24-12-38-90(105)91-39-13-25-51-106(91)132)120(119(116)133-107-52-26-14-40-92(107)93-41-15-27-53-108(93)133)134-109-58-55-78(135-60-28-62-137-80-54-57-94-112(69-80)139-121-111(128-97-42-16-4-30-82(97)83-31-5-17-43-98(83)128)72-115(127-117(94)121)131-103-48-22-10-36-88(103)89-37-11-23-49-104(89)131)67-95(109)96-68-79(56-59-110(96)134)136-61-29-63-138-81-70-113(129-99-44-18-6-32-84(99)85-33-7-19-45-100(85)129)126-114(71-81)130-101-46-20-8-34-86(101)87-35-9-21-47-102(87)130;86-52-53-46-48-54(49-47-53)78-81(88-68-37-15-4-26-56(68)57-27-5-16-38-69(57)88)83(90-72-41-19-8-30-60(72)61-31-9-20-42-73(61)90)85(92-76-45-23-13-35-66(76)79-77(92)51-50-65-64-34-12-14-36-67(64)87(80(65)79)55-24-2-1-3-25-55)84(91-74-43-21-10-32-62(74)63-33-11-22-44-75(63)91)82(78)89-70-39-17-6-28-58(70)59-29-7-18-40-71(59)89;86-52-53-46-48-54(49-47-53)78-81(88-67-36-14-4-26-56(67)57-27-5-15-37-68(57)88)83(90-71-40-18-8-30-60(71)61-31-9-19-41-72(61)90)85(92-75-44-22-12-34-64(75)65-50-51-77-79(80(65)92)66-35-13-23-45-76(66)87(77)55-24-2-1-3-25-55)84(91-73-42-20-10-32-62(73)63-33-11-21-43-74(63)91)82(78)89-69-38-16-6-28-58(69)59-29-7-17-39-70(59)89;1-86-67-40-37-52(91-42-18-44-93-54-36-39-64-78(48-54)95-83-77(87-69-28-10-2-20-56(69)57-21-3-11-29-70(57)87)51-81(85-82(64)83)90-75-34-16-8-26-62(75)63-27-9-17-35-76(63)90)46-65(67)66-47-53(38-41-68(66)86)92-43-19-45-94-55-49-79(88-71-30-12-4-22-58(71)59-23-5-13-31-72(59)88)84-80(50-55)89-73-32-14-6-24-60(73)61-25-7-15-33-74(61)89;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h4-27,30-59,64-72H,28-29,60-63H2,1-3H3;2*1-51H;2-17,20-41,46-51H,18-19,42-45H2,1H3;2-9H,1H3
InChIKeyUMGPLCHANRNEDD-UHFFFAOYSA-N
XLogP98.41
TPSA322.51 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds50
Heavy Atoms432
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005569.52
LogP ≤ 598.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile with MolForge

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Related Compounds

2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3-(3,5-diisocyanophenyl)-4,5-dimethylphenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;5-phenyl-12-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole;12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
CID 165016793
2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
CID 167107587
2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-[2,4,6-tri(carbazol-9-yl)-3-[3-[3-[[2,4-di(carbazol-9-yl)-[1]benzofuro[3,2-b]pyridin-7-yl]oxy]propoxy]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine
CID 164791542
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137386619
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603
3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295696
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142508625
4-carbazol-9-yl-3,5-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163573400
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965

Frequently Asked Questions

What is the IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The IUPAC name of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile (CID 165077087) is 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile.
What is the SMILES notation for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The canonical SMILES for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile is Cc1cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
The InChIKey is UMGPLCHANRNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H84F3N9O5.2C85H51N7.C83H59N7O5.C13H11N/c1-73-64-76(66-77(65-73)122(123,124)125)116-74(2)75(3)118(132-105-50-24-12-38-90(105)91-39-13-25-51-106(91)132)120(119(116)133-107-52-26-14-40-92(107)93-41-15-27-53-108(93)133)134-109-58-55-78(135-60-28-62-137-80-54-57-94-112(69-80)139-121-111(128-97-42-16-4-30-82(97)83-31-5-17-43-98(83)128)72-115(127-117(94)121)131-103-48-22-10-36-88(103)89-37-11-23-49-104(89)131)67-95(109)96-68-79(56-59-110(96)134)136-61-29-63-138-81-70-113(129-99-44-18-6-32-84(99)85-33-7-19-45-100(85)129)126-114(71-81)130-101-46-20-8-34-86(101)87-35-9-21-47-102(87)130;86-52-53-46-48-54(49-47-53)78-81(88-68-37-15-4-26-56(68)57-27-5-16-38-69(57)88)83(90-72-41-19-8-30-60(72)61-31-9-20-42-73(61)90)85(92-76-45-23-13-35-66(76)79-77(92)51-50-65-64-34-12-14-36-67(64)87(80(65)79)55-24-2-1-3-25-55)84(91-74-43-21-10-32-62(74)63-33-11-22-44-75(63)91)82(78)89-70-39-17-6-28-58(70)59-29-7-18-40-71(59)89;86-52-53-46-48-54(49-47-53)78-81(88-67-36-14-4-26-56(67)57-27-5-15-37-68(57)88)83(90-71-40-18-8-30-60(71)61-31-9-19-41-72(61)90)85(92-75-44-22-12-34-64(75)65-50-51-77-79(80(65)92)66-35-13-23-45-76(66)87(77)55-24-2-1-3-25-55)84(91-73-42-20-10-32-62(73)63-33-11-21-43-74(63)91)82(78)89-69-38-16-6-28-58(69)59-29-7-17-39-70(59)89;1-86-67-40-37-52(91-42-18-44-93-54-36-39-64-78(48-54)95-83-77(87-69-28-10-2-20-56(69)57-21-3-11-29-70(57)87)51-81(85-82(64)83)90-75-34-16-8-26-62(75)63-27-9-17-35-76(63)90)46-65(67)66-47-53(38-41-68(66)86)92-43-19-45-94-55-49-79(88-71-30-12-4-22-58(71)59-23-5-13-31-72(59)88)84-80(50-55)89-73-32-14-6-24-60(73)61-25-7-15-33-74(61)89;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14/h4-27,30-59,64-72H,28-29,60-63H2,1-3H3;2*1-51H;2-17,20-41,46-51H,18-19,42-45H2,1H3;2-9H,1H3.
What are the key properties of 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile?
2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile has a molecular weight of 5569.52 g/mol, XLogP of 98.41, 50 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(carbazol-9-yl)-7-[3-[9-[2,6-di(carbazol-9-yl)-3,4-dimethyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;2,4-di(carbazol-9-yl)-7-[3-[6-[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]-9-methylcarbazol-3-yl]oxypropoxy]-[1]benzofuro[3,2-b]pyridine;9-methylcarbazole;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;4-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 165077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).