CID 177433893

C30H41AsGeN2O — CID 177433893

IUPAC—
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)N([Ge])c1c(C(C)C)cccc1C(C)C.O=C=[As]
InChIInChI=1S/C29H41GeN2.CAsO/c1-18(2)24-13-11-14-25(19(3)4)28(24)31-22(9)17-23(10)32(30)29-26(20(5)6)15-12-16-27(29)21(7)8;2-1-3/h11-21H,1-10H3;/b23-17-,31-22+;
InChIKeyPEFRQUGRMUESRZ-CKUOFQSVSA-N
MW593.20 g/mol
LogP7.99
Rot. Bonds8

About CID 177433893

CID 177433893 (PubChem CID 177433893) has the molecular formula C30H41AsGeN2O and a molecular weight of 593.20 g/mol.

Molecular Properties

Compound NameCID 177433893
PubChem CID177433893
Molecular FormulaC30H41AsGeN2O
Molecular Weight593.20 g/mol
Exact Mass594.16
IUPAC Name—
SMILESC/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)N([Ge])c1c(C(C)C)cccc1C(C)C.O=C=[As]
InChIInChI=1S/C29H41GeN2.CAsO/c1-18(2)24-13-11-14-25(19(3)4)28(24)31-22(9)17-23(10)32(30)29-26(20(5)6)15-12-16-27(29)21(7)8;2-1-3/h11-21H,1-10H3;/b23-17-,31-22+;
InChIKeyPEFRQUGRMUESRZ-CKUOFQSVSA-N
XLogP7.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.20
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 139137651
CID 139137651
bis((Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-olate);titanium(4+);sulfide
CID 139130538
CID 139115129
CID 139115129
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-[(E)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]-N-[methyl(triphenylstannyloxy)alumanyl]-2,6-di(propan-2-yl)aniline
CID 177482552
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);bis(palladium(2+));diacetate
CID 139128645
bis([2,6-di(propan-2-yl)phenyl]-[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]azanide);hexane;tris(oxygen(2-));bis(vanadium(4+))
CID 139180324
CID 177454667
CID 177454667
[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
CID 177489301
CID 139161054
CID 139161054
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067

Frequently Asked Questions

What is the IUPAC name of CID 177433893?
The IUPAC name of CID 177433893 (CID 177433893) is not available.
What is the SMILES notation for CID 177433893?
The canonical SMILES for CID 177433893 is C/C(=C/C(C)=N/c1c(C(C)C)cccc1C(C)C)N([Ge])c1c(C(C)C)cccc1C(C)C.O=C=[As].
What is the InChIKey of CID 177433893?
The InChIKey is PEFRQUGRMUESRZ-CKUOFQSVSA-N. The full InChI is InChI=1S/C29H41GeN2.CAsO/c1-18(2)24-13-11-14-25(19(3)4)28(24)31-22(9)17-23(10)32(30)29-26(20(5)6)15-12-16-27(29)21(7)8;2-1-3/h11-21H,1-10H3;/b23-17-,31-22+;.
What are the key properties of CID 177433893?
CID 177433893 has a molecular weight of 593.20 g/mol, XLogP of 7.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177433893 is sourced from PubChem (CID 177433893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).