carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))

C55H112N10P2Zr2 — CID 162281064

About carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))

carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)) (PubChem CID 162281064) has the molecular formula C55H112N10P2Zr2 and a molecular weight of 1157.97 g/mol. Its IUPAC name is carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)).

Molecular Properties

• Compound Name: carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))
• PubChem CID: 162281064
• Molecular Formula: C55H112N10P2Zr2
• Molecular Weight: 1157.97 g/mol
• Exact Mass: 1154.66
• IUPAC Name: carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))
• SMILES: CC(C)c1cccc(C(C)C)c1N=P(C)(C)C1CCCC1.CC(C)c1cccc(C(C)C)c1NP(C)(C)=C1C=CC=C1.CNC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4].[Zr+4]
• InChI: InChI=1S/C19H32NP.C19H28NP.C2H7N.7C2H6N.CH3.2Zr/c2*1-14(2)17-12-9-13-18(15(3)4)19(17)20-21(5,6)16-10-7-8-11-16;8*1-3-2;;;/h9,12-16H,7-8,10-11H2,1-6H3;7-15,20H,1-6H3;3H,1-2H3;7*1-2H3;1H3;;/q;;;8*-1;2*+4
• InChIKey: AKMONOOLUKSJER-UHFFFAOYSA-N
• XLogP: 17.42
• TPSA: 135.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.97
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))?

The IUPAC name of carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)) (CID 162281064) is carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)).

What is the SMILES notation for carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))?

The canonical SMILES for carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)) is CC(C)c1cccc(C(C)C)c1N=P(C)(C)C1CCCC1.CC(C)c1cccc(C(C)C)c1NP(C)(C)=C1C=CC=C1.CNC.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[CH3-].[Zr+4].[Zr+4].

What is the InChIKey of carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))?

The InChIKey is AKMONOOLUKSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NP.C19H28NP.C2H7N.7C2H6N.CH3.2Zr/c2*1-14(2)17-12-9-13-18(15(3)4)19(17)20-21(5,6)16-10-7-8-11-16;8*1-3-2;;;/h9,12-16H,7-8,10-11H2,1-6H3;7-15,20H,1-6H3;3H,1-2H3;7*1-2H3;1H3;;/q;;;8*-1;2*+4.

What are the key properties of carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))?

carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)) has a molecular weight of 1157.97 g/mol, XLogP of 17.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;N-[cyclopenta-2,4-dien-1-ylidene(dimethyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-dimethyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+)) is sourced from PubChem (CID 162281064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).