disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide

C70H89N11Na2O4S — CID 159362122

IUPACdisodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide
SMILESC.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCc1ccc(N)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+].[OH-].c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H29N5.C16H19N3.C10H13N.C10H15N.C7H9NO3S.CH4.2Na.H2O/c1-2-3-6-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)29-30-25-15-17-26(18-16-25)31-19-4-5-20-31;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-3-4-9-5-7-10(11)8-6-9;9-12(10,11)6-8-7-4-2-1-3-5-7;;;;/h7-18H,2-6,19-20H2,1H3;5-12H,2-4,17H2,1H3;1-3,6-7H,4-5,8-9H2;5-8H,2-4,11H2,1H3;1-5,8H,6H2,(H,9,10,11);1H4;;;1H2/q;;;;;;2*+1;/p-2/b28-27+,30-29+;19-18+;;;;;;;
InChIKeyLIQZKPNFBKAYAQ-DNLPUBNWSA-L
MW1226.60 g/mol
LogP13.45
Rot. Bonds20

About disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide

disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide (PubChem CID 159362122) has the molecular formula C70H89N11Na2O4S and a molecular weight of 1226.60 g/mol. Its IUPAC name is disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide.

Molecular Properties

Compound Namedisodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide
PubChem CID159362122
Molecular FormulaC70H89N11Na2O4S
Molecular Weight1226.60 g/mol
Exact Mass1225.66
IUPAC Namedisodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide
SMILESC.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCc1ccc(N)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+].[OH-].c1ccc(N2CCCC2)cc1
InChIInChI=1S/C26H29N5.C16H19N3.C10H13N.C10H15N.C7H9NO3S.CH4.2Na.H2O/c1-2-3-6-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)29-30-25-15-17-26(18-16-25)31-19-4-5-20-31;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-3-4-9-5-7-10(11)8-6-9;9-12(10,11)6-8-7-4-2-1-3-5-7;;;;/h7-18H,2-6,19-20H2,1H3;5-12H,2-4,17H2,1H3;1-3,6-7H,4-5,8-9H2;5-8H,2-4,11H2,1H3;1-5,8H,6H2,(H,9,10,11);1H4;;;1H2/q;;;;;;2*+1;/p-2/b28-27+,30-29+;19-18+;;;;;;;
InChIKeyLIQZKPNFBKAYAQ-DNLPUBNWSA-L
XLogP13.45
TPSA231.91 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.60
LogP ≤ 513.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide with MolForge

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Related Compounds

disodium;anilinomethanesulfonate;4-[(4-butylphenyl)diazenyl]aniline;4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]aniline;[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]anilino]methanesulfonate;(4-butylphenyl)-[4-[(4-propylphenyl)diazenyl]phenyl]diazene
CID 162056695
disodium;anilinomethanesulfonate;4-[[4-(trifluoromethyl)phenyl]diazenyl]aniline;4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline;[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]anilino]methanesulfonate;3-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-1-ol
CID 159811386
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
1-(4-pentylphenyl)pyrrolidine
CID 168512151
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 53257718
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
1,2-bis(4-butylphenyl)-4-phenyl-1,2,4-triazolidine
CID 162352103
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
butyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 129101711

Frequently Asked Questions

What is the IUPAC name of disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide?
The IUPAC name of disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide (CID 159362122) is disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide.
What is the SMILES notation for disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide?
The canonical SMILES for disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide is C.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(N)cc2)cc1.CCCCc1ccc(N)cc1.O=S(=O)([O-])CNc1ccccc1.[Na+].[Na+].[OH-].c1ccc(N2CCCC2)cc1.
What is the InChIKey of disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide?
The InChIKey is LIQZKPNFBKAYAQ-DNLPUBNWSA-L. The full InChI is InChI=1S/C26H29N5.C16H19N3.C10H13N.C10H15N.C7H9NO3S.CH4.2Na.H2O/c1-2-3-6-21-7-9-22(10-8-21)27-28-23-11-13-24(14-12-23)29-30-25-15-17-26(18-16-25)31-19-4-5-20-31;1-2-3-4-13-5-9-15(10-6-13)18-19-16-11-7-14(17)8-12-16;1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-3-4-9-5-7-10(11)8-6-9;9-12(10,11)6-8-7-4-2-1-3-5-7;;;;/h7-18H,2-6,19-20H2,1H3;5-12H,2-4,17H2,1H3;1-3,6-7H,4-5,8-9H2;5-8H,2-4,11H2,1H3;1-5,8H,6H2,(H,9,10,11);1H4;;;1H2/q;;;;;;2*+1;/p-2/b28-27+,30-29+;19-18+;;;;;;;.
What are the key properties of disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide?
disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide has a molecular weight of 1226.60 g/mol, XLogP of 13.45, 20 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;anilinomethanesulfonate;4-butylaniline;4-[(4-butylphenyl)diazenyl]aniline;(4-butylphenyl)-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene;methane;1-phenylpyrrolidine;hydroxide is sourced from PubChem (CID 159362122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).