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

C388H259N31O10 — CID 165016793

IUPAC2,4-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
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C122H81N11O5.2C85H54N6.C83H59N7O5.C13H11N/c1-74-75(2)119(131-106-51-25-13-39-91(106)92-40-14-26-52-107(92)131)121(120(117(74)76-65-77(123-3)67-78(66-76)124-4)132-108-53-27-15-41-93(108)94-42-16-28-54-109(94)132)133-110-59-56-79(134-61-29-63-136-81-55-58-95-113(70-81)138-122-112(127-98-43-17-5-31-83(98)84-32-6-18-44-99(84)127)73-116(126-118(95)122)130-104-49-23-11-37-89(104)90-38-12-24-50-105(90)130)68-96(110)97-69-80(57-60-111(97)133)135-62-30-64-137-82-71-114(128-100-45-19-7-33-85(100)86-34-8-20-46-101(86)128)125-115(72-82)129-102-47-21-9-35-87(102)88-36-10-22-48-103(88)129;1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88;1-53-26-25-27-54(52-53)78-81(87-67-40-15-5-30-56(67)57-31-6-16-41-68(57)87)83(89-71-44-19-9-34-60(71)61-35-10-20-45-72(61)89)85(91-75-48-23-13-38-64(75)65-50-51-77-79(80(65)91)66-39-14-24-49-76(66)86(77)55-28-3-2-4-29-55)84(90-73-46-21-11-36-62(73)63-37-12-22-47-74(63)90)82(78)88-69-42-17-7-32-58(69)59-33-8-18-43-70(59)88;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/h5-28,31-60,65-73H,29-30,61-64H2,1-2H3;2*2-52H,1H3;2-17,20-41,46-51H,18-19,42-45H2,1H3;2-9H,1H3
InChIKeyKNWGLMNZGIFANU-UHFFFAOYSA-N
MW5515.55 g/mol
LogP99.06
Rot. Bonds50

About 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

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 (PubChem CID 165016793) has the molecular formula C388H259N31O10 and a molecular weight of 5515.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID165016793
Molecular FormulaC388H259N31O10
Molecular Weight5515.55 g/mol
Exact Mass5511.07
IUPAC Name2,4-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
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C122H81N11O5.2C85H54N6.C83H59N7O5.C13H11N/c1-74-75(2)119(131-106-51-25-13-39-91(106)92-40-14-26-52-107(92)131)121(120(117(74)76-65-77(123-3)67-78(66-76)124-4)132-108-53-27-15-41-93(108)94-42-16-28-54-109(94)132)133-110-59-56-79(134-61-29-63-136-81-55-58-95-113(70-81)138-122-112(127-98-43-17-5-31-83(98)84-32-6-18-44-99(84)127)73-116(126-118(95)122)130-104-49-23-11-37-89(104)90-38-12-24-50-105(90)130)68-96(110)97-69-80(57-60-111(97)133)135-62-30-64-137-82-71-114(128-100-45-19-7-33-85(100)86-34-8-20-46-101(86)128)125-115(72-82)129-102-47-21-9-35-87(102)88-36-10-22-48-103(88)129;1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88;1-53-26-25-27-54(52-53)78-81(87-67-40-15-5-30-56(67)57-31-6-16-41-68(57)87)83(89-71-44-19-9-34-60(71)61-35-10-20-45-72(61)89)85(91-75-48-23-13-38-64(75)65-50-51-77-79(80(65)91)66-39-14-24-49-76(66)86(77)55-28-3-2-4-29-55)84(90-73-46-21-11-36-62(73)63-37-12-22-47-74(63)90)82(78)88-69-42-17-7-32-58(69)59-33-8-18-43-70(59)88;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/h5-28,31-60,65-73H,29-30,61-64H2,1-2H3;2*2-52H,1H3;2-17,20-41,46-51H,18-19,42-45H2,1H3;2-9H,1H3
InChIKeyKNWGLMNZGIFANU-UHFFFAOYSA-N
XLogP99.06
TPSA283.65 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms429
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005515.55
LogP ≤ 599.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
CID 165016795
3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole;5-phenyl-10-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]phenazine
CID 165044370
4-phenyl-2-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333838
9-carbazol-9-yl-11-(3,5-diisocyanophenyl)-5,12-diphenylindolo[3,2-c]carbazole
CID 140877367
3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 165044372
5-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 170268528
5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 165061618
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[5-(3-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 153432206
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155183616
12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(2-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(3-isocyanophenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(4-isocyanophenyl)indolo[3,2-c]carbazole
CID 159224531

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.Cn1c2ccc(OCCCOc3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)c3)cc2c2cc(OCCCOc3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)nc34)ccc21.Cn1c2ccccc2c2ccccc21.[C-]#[N+]c1cc([N+]#[C-])cc(-c2c(C)c(C)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5ccc6c(c5)oc5c(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)nc56)ccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is KNWGLMNZGIFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H81N11O5.2C85H54N6.C83H59N7O5.C13H11N/c1-74-75(2)119(131-106-51-25-13-39-91(106)92-40-14-26-52-107(92)131)121(120(117(74)76-65-77(123-3)67-78(66-76)124-4)132-108-53-27-15-41-93(108)94-42-16-28-54-109(94)132)133-110-59-56-79(134-61-29-63-136-81-55-58-95-113(70-81)138-122-112(127-98-43-17-5-31-83(98)84-32-6-18-44-99(84)127)73-116(126-118(95)122)130-104-49-23-11-37-89(104)90-38-12-24-50-105(90)130)68-96(110)97-69-80(57-60-111(97)133)135-62-30-64-137-82-71-114(128-100-45-19-7-33-85(100)86-34-8-20-46-101(86)128)125-115(72-82)129-102-47-21-9-35-87(102)88-36-10-22-48-103(88)129;1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88;1-53-26-25-27-54(52-53)78-81(87-67-40-15-5-30-56(67)57-31-6-16-41-68(57)87)83(89-71-44-19-9-34-60(71)61-35-10-20-45-72(61)89)85(91-75-48-23-13-38-64(75)65-50-51-77-79(80(65)91)66-39-14-24-49-76(66)86(77)55-28-3-2-4-29-55)84(90-73-46-21-11-36-62(73)63-37-12-22-47-74(63)90)82(78)88-69-42-17-7-32-58(69)59-33-8-18-43-70(59)88;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/h5-28,31-60,65-73H,29-30,61-64H2,1-2H3;2*2-52H,1H3;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-(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?
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 has a molecular weight of 5515.55 g/mol, XLogP of 99.06, 50 rotatable bonds, 0 hydrogen bond donors, and 39 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-(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 is sourced from PubChem (CID 165016793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).