tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid

C60H69N6O7P — CID 170842340

IUPACtris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O
InChIInChI=1S/3C20H22N2O.H3O4P/c3*1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h3*5-14H,1-4H3;(H3,1,2,3,4)/b3*19-13?,21-14+;
InChIKeyKWZCDCYIYXQLJA-KTJBPMDVSA-N
MW1017.22 g/mol
LogP13.20
Rot. Bonds9

About tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid

tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid (PubChem CID 170842340) has the molecular formula C60H69N6O7P and a molecular weight of 1017.22 g/mol. Its IUPAC name is tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid.

Molecular Properties

Compound Nametris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid
PubChem CID170842340
Molecular FormulaC60H69N6O7P
Molecular Weight1017.22 g/mol
Exact Mass1016.50
IUPAC Nametris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O
InChIInChI=1S/3C20H22N2O.H3O4P/c3*1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h3*5-14H,1-4H3;(H3,1,2,3,4)/b3*19-13?,21-14+;
InChIKeyKWZCDCYIYXQLJA-KTJBPMDVSA-N
XLogP13.20
TPSA152.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.22
LogP ≤ 513.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid
CID 3022732
bis(4-[(E)-3-(3,6-dimethoxycarbazol-9-ium-9-ylidene)prop-1-enyl]-N,N-diphenylaniline) diperchlorate
CID 139050681
N-((1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-p-anisidine phosphate
CID 44147597
N-[5-[2-(1'-ethyl-5'-methoxyspiro[cyclohexane-1,3'-indole]-2'-ylidene)ethylidene]-2-[2-(1'-ethyl-5'-methoxyspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]cyclopenten-1-yl]-N-phenylaniline
CID 53830279
4-N-[(E)-[1-[6-[2-[(E)-[[4-(4-methoxy-N-methylanilino)phenyl]-methylhydrazinylidene]methyl]-3,3-dimethylindol-1-ium-1-yl]hexyl]-3,3-dimethyl-2H-indol-2-yl]methylideneamino]-1-N-(4-methoxyphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 58637401
[(2E,5E)-2,5-bis[2-[1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium
CID 58836348
[(2E,5E)-2,5-bis[(2E)-2-[1-[2-(4-methoxyphenyl)ethyl]-3,3,5-trimethylindol-2-ylidene]ethylidene]cyclopentylidene]-diphenylazanium
CID 58965899
[(2E,5E)-2,5-bis[(2E)-2-(1-ethyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]cyclopent-3-en-1-ylidene]-diphenylazanium
CID 58965910
[(2E,5E)-2,5-bis[(2E)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopent-3-en-1-ylidene]-bis(4-methoxyphenyl)azanium
CID 58965930
N-[2-[2-(5-methoxy-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[2-(5-methoxy-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 59171354
N-[2-[2-(1-ethyl-5-methoxy-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-[2-(1-ethyl-5-methoxy-3,3-dimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 72389087
N-[2-[2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]aniline
CID 72438056

Frequently Asked Questions

What is the IUPAC name of tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid?
The IUPAC name of tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid (CID 170842340) is tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid.
What is the SMILES notation for tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid?
The canonical SMILES for tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid is COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O.
What is the InChIKey of tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid?
The InChIKey is KWZCDCYIYXQLJA-KTJBPMDVSA-N. The full InChI is InChI=1S/3C20H22N2O.H3O4P/c3*1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h3*5-14H,1-4H3;(H3,1,2,3,4)/b3*19-13?,21-14+;.
What are the key properties of tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid?
tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid has a molecular weight of 1017.22 g/mol, XLogP of 13.20, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine);phosphoric acid is sourced from PubChem (CID 170842340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).