2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)

C90H116N14Sc2-2 — CID 139122685

IUPAC2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)
SMILESC/C(=C/C(C)=N/CCN(C(C)C)C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]CCN(C(C)C)C(C)C.[Sc].[Sc].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C25H42N3.4C10H8N2.2Sc/c2*1-17(2)23-12-11-13-24(18(3)4)25(23)27-22(10)16-21(9)26-14-15-28(19(5)6)20(7)8;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*11-13,16-20H,14-15H2,1-10H3;4*1-8H;;/q2*-1;;;;;;/b22-16-,26-21+;21-16-,27-22+;;;;;;
InChIKeyBNJQQWZTFWXSJA-NFQZBGMSSA-N
MW1483.93 g/mol
LogP23.41
Rot. Bonds24

About 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)

2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) (PubChem CID 139122685) has the molecular formula C90H116N14Sc2-2 and a molecular weight of 1483.93 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium).

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)
PubChem CID139122685
Molecular FormulaC90H116N14Sc2-2
Molecular Weight1483.93 g/mol
Exact Mass1482.86
IUPAC Name2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)
SMILESC/C(=C/C(C)=N/CCN(C(C)C)C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]CCN(C(C)C)C(C)C.[Sc].[Sc].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C25H42N3.4C10H8N2.2Sc/c2*1-17(2)23-12-11-13-24(18(3)4)25(23)27-22(10)16-21(9)26-14-15-28(19(5)6)20(7)8;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*11-13,16-20H,14-15H2,1-10H3;4*1-8H;;/q2*-1;;;;;;/b22-16-,26-21+;21-16-,27-22+;;;;;;
InChIKeyBNJQQWZTFWXSJA-NFQZBGMSSA-N
XLogP23.41
TPSA162.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.93
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)?
The IUPAC name of 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) (CID 139122685) is 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium).
What is the SMILES notation for 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)?
The canonical SMILES for 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) is C/C(=C/C(C)=N/CCN(C(C)C)C(C)C)[N-]c1c(C(C)C)cccc1C(C)C.C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)[N-]CCN(C(C)C)C(C)C.[Sc].[Sc].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)?
The InChIKey is BNJQQWZTFWXSJA-NFQZBGMSSA-N. The full InChI is InChI=1S/2C25H42N3.4C10H8N2.2Sc/c2*1-17(2)23-12-11-13-24(18(3)4)25(23)27-22(10)16-21(9)26-14-15-28(19(5)6)20(7)8;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h2*11-13,16-20H,14-15H2,1-10H3;4*1-8H;;/q2*-1;;;;;;/b22-16-,26-21+;21-16-,27-22+;;;;;;.
What are the key properties of 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium)?
2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) has a molecular weight of 1483.93 g/mol, XLogP of 23.41, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]ethyl-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide;[(Z)-4-[2-[di(propan-2-yl)amino]ethylimino]pent-2-en-2-yl]-[2,6-di(propan-2-yl)phenyl]azanide;tetrakis(2-pyridin-2-ylpyridine);bis(scandium) is sourced from PubChem (CID 139122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).