tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium

C90H77N12O7U3-15 — CID 139042757

IUPACtris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium
SMILESCC(C)OC(C)C.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[U].[U].[U]
InChIInChI=1S/3C28H21N4.C6H14O.6O.3U/c3*1-20-12-14-21(15-13-20)24(18-31-25-10-2-6-22-8-4-16-29-27(22)25)19-32-26-11-3-7-23-9-5-17-30-28(23)26;1-5(2)7-6(3)4;;;;;;;;;/h3*2-19H,1H3;5-6H,1-4H3;;;;;;;;;/q3*-1;;6*-2;;;/b3*24-18+,32-19+;;;;;;;;;;
InChIKeyKLFXXLQJUVMIIC-GOLXIJLHSA-N
MW2152.77 g/mol
LogP23.73
Rot. Bonds17

About tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium

tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium (PubChem CID 139042757) has the molecular formula C90H77N12O7U3-15 and a molecular weight of 2152.77 g/mol. Its IUPAC name is tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium.

Molecular Properties

Compound Nametris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium
PubChem CID139042757
Molecular FormulaC90H77N12O7U3-15
Molecular Weight2152.77 g/mol
Exact Mass2151.76
IUPAC Nametris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium
SMILESCC(C)OC(C)C.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[U].[U].[U]
InChIInChI=1S/3C28H21N4.C6H14O.6O.3U/c3*1-20-12-14-21(15-13-20)24(18-31-25-10-2-6-22-8-4-16-29-27(22)25)19-32-26-11-3-7-23-9-5-17-30-28(23)26;1-5(2)7-6(3)4;;;;;;;;;/h3*2-19H,1H3;5-6H,1-4H3;;;;;;;;;/q3*-1;;6*-2;;;/b3*24-18+,32-19+;;;;;;;;;;
InChIKeyKLFXXLQJUVMIIC-GOLXIJLHSA-N
XLogP23.73
TPSA336.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002152.77
LogP ≤ 523.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium?
The IUPAC name of tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium (CID 139042757) is tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium.
What is the SMILES notation for tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium?
The canonical SMILES for tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium is CC(C)OC(C)C.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.Cc1ccc(C(=C/[N-]c2cccc3cccnc23)/C=N/c2cccc3cccnc23)cc1.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[U].[U].[U].
What is the InChIKey of tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium?
The InChIKey is KLFXXLQJUVMIIC-GOLXIJLHSA-N. The full InChI is InChI=1S/3C28H21N4.C6H14O.6O.3U/c3*1-20-12-14-21(15-13-20)24(18-31-25-10-2-6-22-8-4-16-29-27(22)25)19-32-26-11-3-7-23-9-5-17-30-28(23)26;1-5(2)7-6(3)4;;;;;;;;;/h3*2-19H,1H3;5-6H,1-4H3;;;;;;;;;/q3*-1;;6*-2;;;/b3*24-18+,32-19+;;;;;;;;;;.
What are the key properties of tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium?
tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium has a molecular weight of 2152.77 g/mol, XLogP of 23.73, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris([(Z)-2-(4-methylphenyl)-3-quinolin-8-yliminoprop-1-enyl]-quinolin-8-ylazanide);hexakis(oxygen(2-));2-propan-2-yloxypropane;uranium is sourced from PubChem (CID 139042757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).