sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane

C229H187BBr7Cl4N10NaO9 — CID 158002951

IUPACsodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane
SMILESBrBr.CC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(Br)=C(Br)C4)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CCCCC.CO.COC(=O)n1c(Br)c(Br)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.COC(=O)n1ccc2cc(Br)ccc21.COC(=O)n1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C53H39Br2N3O2.C53H41N3O2.C52H38Br2N2.C44H35N.C10H9BO2.C10H8BrNO2.C5H12.CCl4.CH4O.Br2.Na.H/c1-53(2)46-32-40(25-28-43(46)44-29-26-41(33-47(44)53)57(37-17-8-5-9-18-37)48-20-12-16-36-15-10-11-19-42(36)48)56(38-23-21-35(22-24-38)34-13-6-4-7-14-34)39-27-30-49-45(31-39)50(54)51(55)58(49)52(59)60-3;1-53(2)48-34-43(55(41-23-21-37(22-24-41)36-13-6-4-7-14-36)42-27-30-50-39(33-42)31-32-54(50)52(57)58-3)25-28-46(48)47-29-26-44(35-49(47)53)56(40-17-8-5-9-18-40)51-20-12-16-38-15-10-11-19-45(38)51;1-52(2)47-32-41(55(40-25-22-37-30-49(53)51(54)46(37)31-40)39-23-20-35(21-24-39)34-12-5-3-6-13-34)26-28-44(47)45-29-27-42(33-48(45)52)56(38-16-7-4-8-17-38)50-19-11-15-36-14-9-10-18-43(36)50;1-44(2)41-29-32(28-31-20-23-34(24-21-31)33-12-5-3-6-13-33)22-26-39(41)40-27-25-37(30-42(40)44)45(36-16-7-4-8-17-36)43-19-11-15-35-14-9-10-18-38(35)43;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12;1-3-5-4-2;2-1(3,4)5;2*1-2;;/h4-33H,1-3H3;4-35H,1-3H3;3-29,31-33H,30H2,1-2H3;3-27,29-30H,28H2,1-2H3;1-7,12-13H;2-6H,1H3;3-5H2,1-2H3;;2H,1H3;;;/q;;;;;;;;;;+1;-1
InChIKeyUZDSBQOHNWUACO-UHFFFAOYSA-N
MW3958.02 g/mol
LogP64.51
Rot. Bonds30

About sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane

sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane (PubChem CID 158002951) has the molecular formula C229H187BBr7Cl4N10NaO9 and a molecular weight of 3958.02 g/mol. Its IUPAC name is sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane.

Molecular Properties

Compound Namesodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane
PubChem CID158002951
Molecular FormulaC229H187BBr7Cl4N10NaO9
Molecular Weight3958.02 g/mol
Exact Mass3946.75
IUPAC Namesodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane
SMILESBrBr.CC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(Br)=C(Br)C4)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CCCCC.CO.COC(=O)n1c(Br)c(Br)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.COC(=O)n1ccc2cc(Br)ccc21.COC(=O)n1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C53H39Br2N3O2.C53H41N3O2.C52H38Br2N2.C44H35N.C10H9BO2.C10H8BrNO2.C5H12.CCl4.CH4O.Br2.Na.H/c1-53(2)46-32-40(25-28-43(46)44-29-26-41(33-47(44)53)57(37-17-8-5-9-18-37)48-20-12-16-36-15-10-11-19-42(36)48)56(38-23-21-35(22-24-38)34-13-6-4-7-14-34)39-27-30-49-45(31-39)50(54)51(55)58(49)52(59)60-3;1-53(2)48-34-43(55(41-23-21-37(22-24-41)36-13-6-4-7-14-36)42-27-30-50-39(33-42)31-32-54(50)52(57)58-3)25-28-46(48)47-29-26-44(35-49(47)53)56(40-17-8-5-9-18-40)51-20-12-16-38-15-10-11-19-45(38)51;1-52(2)47-32-41(55(40-25-22-37-30-49(53)51(54)46(37)31-40)39-23-20-35(21-24-39)34-12-5-3-6-13-34)26-28-44(47)45-29-27-42(33-48(45)52)56(38-16-7-4-8-17-38)50-19-11-15-36-14-9-10-18-43(36)50;1-44(2)41-29-32(28-31-20-23-34(24-21-31)33-12-5-3-6-13-33)22-26-39(41)40-27-25-37(30-42(40)44)45(36-16-7-4-8-17-36)43-19-11-15-35-14-9-10-18-38(35)43;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12;1-3-5-4-2;2-1(3,4)5;2*1-2;;/h4-33H,1-3H3;4-35H,1-3H3;3-29,31-33H,30H2,1-2H3;3-27,29-30H,28H2,1-2H3;1-7,12-13H;2-6H,1H3;3-5H2,1-2H3;;2H,1H3;;;/q;;;;;;;;;;+1;-1
InChIKeyUZDSBQOHNWUACO-UHFFFAOYSA-N
XLogP64.51
TPSA177.06 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003958.02
LogP ≤ 564.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane with MolForge

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Related Compounds

4-[4-[[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-naphthalen-1-ylamino]phenyl]benzoic acid
CID 139978890
acetylene;3-(3-bromophenyl)-9-phenylcarbazole;9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
CID 162062710
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole;N-(9,9-dimethylfluoren-2-yl)-3,6-diphenyl-N-(4-phenylphenyl)pyrrolo[2,3-c]carbazol-9-amine;9,9-dimethyl-2-[(4-phenylphenyl)methyl]fluorene
CID 162159985
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 162198244
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;7-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 162097788

Frequently Asked Questions

What is the IUPAC name of sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane?
The IUPAC name of sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane (CID 158002951) is sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane.
What is the SMILES notation for sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane?
The canonical SMILES for sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane is BrBr.CC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(Br)=C(Br)C4)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CCCCC.CO.COC(=O)n1c(Br)c(Br)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.COC(=O)n1ccc2cc(Br)ccc21.COC(=O)n1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc6ccccc56)ccc3-4)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1cccc2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane?
The InChIKey is UZDSBQOHNWUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39Br2N3O2.C53H41N3O2.C52H38Br2N2.C44H35N.C10H9BO2.C10H8BrNO2.C5H12.CCl4.CH4O.Br2.Na.H/c1-53(2)46-32-40(25-28-43(46)44-29-26-41(33-47(44)53)57(37-17-8-5-9-18-37)48-20-12-16-36-15-10-11-19-42(36)48)56(38-23-21-35(22-24-38)34-13-6-4-7-14-34)39-27-30-49-45(31-39)50(54)51(55)58(49)52(59)60-3;1-53(2)48-34-43(55(41-23-21-37(22-24-41)36-13-6-4-7-14-36)42-27-30-50-39(33-42)31-32-54(50)52(57)58-3)25-28-46(48)47-29-26-44(35-49(47)53)56(40-17-8-5-9-18-40)51-20-12-16-38-15-10-11-19-45(38)51;1-52(2)47-32-41(55(40-25-22-37-30-49(53)51(54)46(37)31-40)39-23-20-35(21-24-39)34-12-5-3-6-13-34)26-28-44(47)45-29-27-42(33-48(45)52)56(38-16-7-4-8-17-38)50-19-11-15-36-14-9-10-18-43(36)50;1-44(2)41-29-32(28-31-20-23-34(24-21-31)33-12-5-3-6-13-33)22-26-39(41)40-27-25-37(30-42(40)44)45(36-16-7-4-8-17-36)43-19-11-15-35-14-9-10-18-38(35)43;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12;1-3-5-4-2;2-1(3,4)5;2*1-2;;/h4-33H,1-3H3;4-35H,1-3H3;3-29,31-33H,30H2,1-2H3;3-27,29-30H,28H2,1-2H3;1-7,12-13H;2-6H,1H3;3-5H2,1-2H3;;2H,1H3;;;/q;;;;;;;;;;+1;-1.
What are the key properties of sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane?
sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane has a molecular weight of 3958.02 g/mol, XLogP of 64.51, 30 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-N-(2,3-dibromo-1H-inden-5-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-[(4-phenylphenyl)methyl]fluoren-2-amine;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;methyl 5-(N-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-4-phenylanilino)indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;pentane;tetrachloromethane is sourced from PubChem (CID 158002951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).