9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile

C360H235F3N32O10 — CID 165075557

About 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile

9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 165075557) has the molecular formula C360H235F3N32O10 and a molecular weight of 5226.05 g/mol. Its IUPAC name is 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile
• PubChem CID: 165075557
• Molecular Formula: C360H235F3N32O10
• Molecular Weight: 5226.05 g/mol
• Exact Mass: 5221.88
• IUPAC Name: 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile
• SMILES: COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C#N)cn2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1
• InChI: InChI=1S/C202H138F3N17O8.C84H50N8.C74H47N7O2/c1-125-110-126(112-127(111-125)202(203,204)205)196-197(218-178-88-40-18-66-152(178)153-67-19-41-89-179(153)218)199(221-184-98-94-128(223-102-46-106-227-132-117-188(210-162-72-24-2-50-136(162)137-51-3-25-73-163(137)210)206-189(118-132)211-164-74-26-4-52-138(164)139-53-5-27-75-165(139)211)113-158(184)159-114-129(95-99-185(159)221)224-103-47-107-228-133-119-190(212-166-76-28-6-54-140(166)141-55-7-29-77-167(141)212)207-191(120-133)213-168-78-30-8-56-142(168)143-57-9-31-79-169(143)213)201(220-182-92-44-22-70-156(182)157-71-23-45-93-183(157)220)200(198(196)219-180-90-42-20-68-154(180)155-69-21-43-91-181(155)219)222-186-100-96-130(225-104-48-108-229-134-121-192(214-170-80-32-10-58-144(170)145-59-11-33-81-171(145)214)208-193(122-134)215-172-82-34-12-60-146(172)147-61-13-35-83-173(147)215)115-160(186)161-116-131(97-101-187(161)222)226-105-49-109-230-135-123-194(216-174-84-36-14-62-148(174)149-63-15-37-85-175(149)216)209-195(124-135)217-176-86-38-16-64-150(176)151-65-17-39-87-177(151)217;85-50-52-46-48-65(86-51-52)78-80(88-67-37-15-4-26-54(67)55-27-5-16-38-68(55)88)82(90-71-41-19-8-30-58(71)59-31-9-20-42-72(59)90)84(92-75-45-23-13-35-64(75)77-76(92)49-47-63-62-34-12-14-36-66(62)87(79(63)77)53-24-2-1-3-25-53)83(91-73-43-21-10-32-60(73)61-33-11-22-44-74(61)91)81(78)89-69-39-17-6-28-56(69)57-29-7-18-40-70(57)89;1-82-46-36-39-67-56(41-46)57-42-47(83-2)37-40-68(57)81(67)74-72(79-63-31-15-7-23-52(63)53-24-8-16-32-64(53)79)70(77-59-27-11-3-19-48(59)49-20-4-12-28-60(49)77)69(58-38-35-45(43-75)44-76-58)71(78-61-29-13-5-21-50(61)51-22-6-14-30-62(51)78)73(74)80-65-33-17-9-25-54(65)55-26-10-18-34-66(55)80/h2-45,50-101,110-124H,46-49,102-109H2,1H3;1-49,51H;3-42,44H,1-2H3
• InChIKey: UGAWEKVKBNBCFL-UHFFFAOYSA-N
• XLogP: 89.24
• TPSA: 335.54 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 53
• Heavy Atoms: 405
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5226.05
LogP ≤ 5	89.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile?

The IUPAC name of 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile (CID 165075557) is 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile?

The canonical SMILES for 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-c2ccc(C#N)cn2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.Cc1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)cc4c4cc(OCCCOc5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)ccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1.

What is the InChIKey of 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile?

The InChIKey is UGAWEKVKBNBCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C202H138F3N17O8.C84H50N8.C74H47N7O2/c1-125-110-126(112-127(111-125)202(203,204)205)196-197(218-178-88-40-18-66-152(178)153-67-19-41-89-179(153)218)199(221-184-98-94-128(223-102-46-106-227-132-117-188(210-162-72-24-2-50-136(162)137-51-3-25-73-163(137)210)206-189(118-132)211-164-74-26-4-52-138(164)139-53-5-27-75-165(139)211)113-158(184)159-114-129(95-99-185(159)221)224-103-47-107-228-133-119-190(212-166-76-28-6-54-140(166)141-55-7-29-77-167(141)212)207-191(120-133)213-168-78-30-8-56-142(168)143-57-9-31-79-169(143)213)201(220-182-92-44-22-70-156(182)157-71-23-45-93-183(157)220)200(198(196)219-180-90-42-20-68-154(180)155-69-21-43-91-181(155)219)222-186-100-96-130(225-104-48-108-229-134-121-192(214-170-80-32-10-58-144(170)145-59-11-33-81-171(145)214)208-193(122-134)215-172-82-34-12-60-146(172)147-61-13-35-83-173(147)215)115-160(186)161-116-131(97-101-187(161)222)226-105-49-109-230-135-123-194(216-174-84-36-14-62-148(174)149-63-15-37-85-175(149)216)209-195(124-135)217-176-86-38-16-64-150(176)151-65-17-39-87-177(151)217;85-50-52-46-48-65(86-51-52)78-80(88-67-37-15-4-26-54(67)55-27-5-16-38-68(55)88)82(90-71-41-19-8-30-58(71)59-31-9-20-42-72(59)90)84(92-75-45-23-13-35-64(75)77-76(92)49-47-63-62-34-12-14-36-66(62)87(79(63)77)53-24-2-1-3-25-53)83(91-73-43-21-10-32-60(73)61-33-11-22-44-74(61)91)81(78)89-69-39-17-6-28-56(69)57-29-7-18-40-70(57)89;1-82-46-36-39-67-56(41-46)57-42-47(83-2)37-40-68(57)81(67)74-72(79-63-31-15-7-23-52(63)53-24-8-16-32-64(53)79)70(77-59-27-11-3-19-48(59)49-20-4-12-28-60(49)77)69(58-38-35-45(43-75)44-76-58)71(78-61-29-13-5-21-50(61)51-22-6-14-30-62(51)78)73(74)80-65-33-17-9-25-54(65)55-26-10-18-34-66(55)80/h2-45,50-101,110-124H,46-49,102-109H2,1H3;1-49,51H;3-42,44H,1-2H3.

What are the key properties of 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile?

9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 5226.05 g/mol, XLogP of 89.24, 53 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazol-9-yl]-2,4,6-tri(carbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis[3-[[2,6-di(carbazol-9-yl)-4-pyridinyl]oxy]propoxy]carbazole;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(3,6-dimethoxycarbazol-9-yl)phenyl]pyridine-3-carbonitrile;6-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 165075557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).