potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide

C99H71CuI2KN7O — CID 160675124

IUPACpotassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide
SMILESCc1ccc2c3ccc(I)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.[Cu]I.[K+].[OH-].c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C55H38N4.C32H21IN2.C12H11N.Cu.HI.K.H2O/c1-6-21-40(22-7-1)57(41-23-8-2-9-24-41)45-33-35-48-49-36-34-46(58(42-25-10-3-11-26-42)43-27-12-4-13-28-43)38-52(49)54-53(51(48)37-45)56-55(59(54)44-29-14-5-15-30-44)50-32-18-20-39-19-16-17-31-47(39)50;1-20-14-16-25-26-17-15-22(33)19-29(26)31-30(28(25)18-20)34-32(35(31)23-10-3-2-4-11-23)27-13-7-9-21-8-5-6-12-24(21)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h1-38H;2-19H,1H3;1-10,13H;;1H;;1H2/q;;;+1;;+1;/p-2
InChIKeyRNKXGLGUOVKNKB-UHFFFAOYSA-L
MW1731.16 g/mol
LogP25.30
Rot. Bonds12

About potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide

potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide (PubChem CID 160675124) has the molecular formula C99H71CuI2KN7O and a molecular weight of 1731.16 g/mol. Its IUPAC name is potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide.

Molecular Properties

Compound Namepotassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide
PubChem CID160675124
Molecular FormulaC99H71CuI2KN7O
Molecular Weight1731.16 g/mol
Exact Mass1729.27
IUPAC Namepotassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide
SMILESCc1ccc2c3ccc(I)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.[Cu]I.[K+].[OH-].c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C55H38N4.C32H21IN2.C12H11N.Cu.HI.K.H2O/c1-6-21-40(22-7-1)57(41-23-8-2-9-24-41)45-33-35-48-49-36-34-46(58(42-25-10-3-11-26-42)43-27-12-4-13-28-43)38-52(49)54-53(51(48)37-45)56-55(59(54)44-29-14-5-15-30-44)50-32-18-20-39-19-16-17-31-47(39)50;1-20-14-16-25-26-17-15-22(33)19-29(26)31-30(28(25)18-20)34-32(35(31)23-10-3-2-4-11-23)27-13-7-9-21-8-5-6-12-24(21)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h1-38H;2-19H,1H3;1-10,13H;;1H;;1H2/q;;;+1;;+1;/p-2
InChIKeyRNKXGLGUOVKNKB-UHFFFAOYSA-L
XLogP25.30
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001731.16
LogP ≤ 525.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide with MolForge

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Related Compounds

5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
CID 59188554
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
3-iodo-9-phenylcarbazole;methane;4-methylaniline;N-(4-methylphenyl)-9-phenylcarbazol-3-amine;N-(4-methylphenyl)-9-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]carbazol-3-amine
CID 157464119
N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
CID 58835685
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine
CID 158481598
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465

Frequently Asked Questions

What is the IUPAC name of potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide?
The IUPAC name of potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide (CID 160675124) is potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide.
What is the SMILES notation for potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide?
The canonical SMILES for potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide is Cc1ccc2c3ccc(I)cc3c3c(nc(-c4cccc5ccccc45)n3-c3ccccc3)c2c1.[Cu]I.[K+].[OH-].c1ccc(N(c2ccccc2)c2ccc3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4c(nc(-c5cccc6ccccc56)n4-c4ccccc4)c3c2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide?
The InChIKey is RNKXGLGUOVKNKB-UHFFFAOYSA-L. The full InChI is InChI=1S/C55H38N4.C32H21IN2.C12H11N.Cu.HI.K.H2O/c1-6-21-40(22-7-1)57(41-23-8-2-9-24-41)45-33-35-48-49-36-34-46(58(42-25-10-3-11-26-42)43-27-12-4-13-28-43)38-52(49)54-53(51(48)37-45)56-55(59(54)44-29-14-5-15-30-44)50-32-18-20-39-19-16-17-31-47(39)50;1-20-14-16-25-26-17-15-22(33)19-29(26)31-30(28(25)18-20)34-32(35(31)23-10-3-2-4-11-23)27-13-7-9-21-8-5-6-12-24(21)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h1-38H;2-19H,1H3;1-10,13H;;1H;;1H2/q;;;+1;;+1;/p-2.
What are the key properties of potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide?
potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide has a molecular weight of 1731.16 g/mol, XLogP of 25.30, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;iodocopper;5-iodo-10-methyl-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,5-N,10-N,10-N,3-pentakis-phenylphenanthro[9,10-d]imidazole-5,10-diamine;N-phenylaniline;hydroxide is sourced from PubChem (CID 160675124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).