copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone

C152H80CuN16O8 — CID 58838813

IUPACcopper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone
SMILESO=C(c1c2c(c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C(=O)n5c6ccccc6c6ccccc65)c5ccccc5c(C(=O)n5c6ccccc6c6ccccc65)c41)-c1c-3c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c1C(=O)n1c3ccccc3c3ccccc31)c1c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c(C(=O)n3c4ccccc4c4ccccc43)c21)n1c2ccccc2c2ccccc21.[Cu+2]
InChIInChI=1S/C152H82N16O8.Cu/c169-145(161-105-65-25-9-41-81(105)82-42-10-26-66-106(82)161)121-97-57-1-2-58-98(97)122(146(170)162-107-67-27-11-43-83(107)84-44-12-28-68-108(84)162)130-129(121)137-153-138(130)158-140-133-125(149(173)165-113-73-33-17-49-89(113)90-50-18-34-74-114(90)165)101-61-5-6-62-102(101)126(150(174)166-115-75-35-19-51-91(115)92-52-20-36-76-116(92)166)134(133)142(155-140)160-144-136-128(152(176)168-119-79-39-23-55-95(119)96-56-24-40-80-120(96)168)104-64-8-7-63-103(104)127(151(175)167-117-77-37-21-53-93(117)94-54-22-38-78-118(94)167)135(136)143(156-144)159-141-132-124(148(172)164-111-71-31-15-47-87(111)88-48-16-32-72-112(88)164)100-60-4-3-59-99(100)123(131(132)139(154-141)157-137)147(171)163-109-69-29-13-45-85(109)86-46-14-30-70-110(86)163;/h1-80H,(H2,153,154,155,156,157,158,159,160,169,170,171,172,173,174,175,176);/q;+2/p-2
InChIKeyPCWPZZIXSABCTO-UHFFFAOYSA-L
MW2321.96 g/mol
LogP33.11
Rot. Bonds8

About copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone

copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone (PubChem CID 58838813) has the molecular formula C152H80CuN16O8 and a molecular weight of 2321.96 g/mol. Its IUPAC name is copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone.

Molecular Properties

Compound Namecopper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone
PubChem CID58838813
Molecular FormulaC152H80CuN16O8
Molecular Weight2321.96 g/mol
Exact Mass2319.56
IUPAC Namecopper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone
SMILESO=C(c1c2c(c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C(=O)n5c6ccccc6c6ccccc65)c5ccccc5c(C(=O)n5c6ccccc6c6ccccc65)c41)-c1c-3c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c1C(=O)n1c3ccccc3c3ccccc31)c1c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c(C(=O)n3c4ccccc4c4ccccc43)c21)n1c2ccccc2c2ccccc21.[Cu+2]
InChIInChI=1S/C152H82N16O8.Cu/c169-145(161-105-65-25-9-41-81(105)82-42-10-26-66-106(82)161)121-97-57-1-2-58-98(97)122(146(170)162-107-67-27-11-43-83(107)84-44-12-28-68-108(84)162)130-129(121)137-153-138(130)158-140-133-125(149(173)165-113-73-33-17-49-89(113)90-50-18-34-74-114(90)165)101-61-5-6-62-102(101)126(150(174)166-115-75-35-19-51-91(115)92-52-20-36-76-116(92)166)134(133)142(155-140)160-144-136-128(152(176)168-119-79-39-23-55-95(119)96-56-24-40-80-120(96)168)104-64-8-7-63-103(104)127(151(175)167-117-77-37-21-53-93(117)94-54-22-38-78-118(94)167)135(136)143(156-144)159-141-132-124(148(172)164-111-71-31-15-47-87(111)88-48-16-32-72-112(88)164)100-60-4-3-59-99(100)123(131(132)139(154-141)157-137)147(171)163-109-69-29-13-45-85(109)86-46-14-30-70-110(86)163;/h1-80H,(H2,153,154,155,156,157,158,159,160,169,170,171,172,173,174,175,176);/q;+2/p-2
InChIKeyPCWPZZIXSABCTO-UHFFFAOYSA-L
XLogP33.11
TPSA281.54 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002321.96
LogP ≤ 533.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone?
The IUPAC name of copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone (CID 58838813) is copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone.
What is the SMILES notation for copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone?
The canonical SMILES for copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone is O=C(c1c2c(c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc13)-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1c(C(=O)n5c6ccccc6c6ccccc65)c5ccccc5c(C(=O)n5c6ccccc6c6ccccc65)c41)-c1c-3c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c1C(=O)n1c3ccccc3c3ccccc31)c1c(C(=O)n3c4ccccc4c4ccccc43)c3ccccc3c(C(=O)n3c4ccccc4c4ccccc43)c21)n1c2ccccc2c2ccccc21.[Cu+2].
What is the InChIKey of copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone?
The InChIKey is PCWPZZIXSABCTO-UHFFFAOYSA-L. The full InChI is InChI=1S/C152H82N16O8.Cu/c169-145(161-105-65-25-9-41-81(105)82-42-10-26-66-106(82)161)121-97-57-1-2-58-98(97)122(146(170)162-107-67-27-11-43-83(107)84-44-12-28-68-108(84)162)130-129(121)137-153-138(130)158-140-133-125(149(173)165-113-73-33-17-49-89(113)90-50-18-34-74-114(90)165)101-61-5-6-62-102(101)126(150(174)166-115-75-35-19-51-91(115)92-52-20-36-76-116(92)166)134(133)142(155-140)160-144-136-128(152(176)168-119-79-39-23-55-95(119)96-56-24-40-80-120(96)168)104-64-8-7-63-103(104)127(151(175)167-117-77-37-21-53-93(117)94-54-22-38-78-118(94)167)135(136)143(156-144)159-141-132-124(148(172)164-111-71-31-15-47-87(111)88-48-16-32-72-112(88)164)100-60-4-3-59-99(100)123(131(132)139(154-141)157-137)147(171)163-109-69-29-13-45-85(109)86-46-14-30-70-110(86)163;/h1-80H,(H2,153,154,155,156,157,158,159,160,169,170,171,172,173,174,175,176);/q;+2/p-2.
What are the key properties of copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone?
copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone has a molecular weight of 2321.96 g/mol, XLogP of 33.11, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for copper carbazol-9-yl-[12,18,25,31,38,44,51-heptakis(carbazole-9-carbonyl)-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaen-5-yl]methanone is sourced from PubChem (CID 58838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).