carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium

C30H39Br3NPZr- — CID 58140353

IUPACcarbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
SMILESBr[Zr](Br)Br.CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH3-]
InChIInChI=1S/C29H36NP.CH3.3BrH.Zr/c1-22(2)27-20-13-21-28(23(3)4)29(27)30-31(26-18-11-12-19-26,24-14-7-5-8-15-24)25-16-9-6-10-17-25;;;;;/h5-10,13-17,20-23,26H,11-12,18-19H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyPVAMFPJNBQCNNV-UHFFFAOYSA-K
MW775.56 g/mol
LogP11.34
Rot. Bonds6

About carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium

carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium (PubChem CID 58140353) has the molecular formula C30H39Br3NPZr- and a molecular weight of 775.56 g/mol. Its IUPAC name is carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium.

Molecular Properties

Compound Namecarbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
PubChem CID58140353
Molecular FormulaC30H39Br3NPZr-
Molecular Weight775.56 g/mol
Exact Mass770.94
IUPAC Namecarbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium
SMILESBr[Zr](Br)Br.CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH3-]
InChIInChI=1S/C29H36NP.CH3.3BrH.Zr/c1-22(2)27-20-13-21-28(23(3)4)29(27)30-31(26-18-11-12-19-26,24-14-7-5-8-15-24)25-16-9-6-10-17-25;;;;;/h5-10,13-17,20-23,26H,11-12,18-19H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3
InChIKeyPVAMFPJNBQCNNV-UHFFFAOYSA-K
XLogP11.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.56
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbanide;N-[cyclopenta-2,4-dien-1-ylidene(diphenyl)-λ5-phosphanyl]-2,6-di(propan-2-yl)aniline;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;heptakis(dimethylazanide);N-methylmethanamine;bis(zirconium(4+))
CID 162281065
carbanide;[2,6-di(propan-2-yl)phenyl]imino-diphenyl-(4,4,6,6-tetramethyl-1,2,3,3a,5,6a-hexahydropentalen-2-yl)-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140367
[2,6-di(propan-2-yl)phenyl]imino-(1H-inden-1-yl)-diphenyl-λ5-phosphane
CID 102453146
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-lambda5-phosphanyl]-2-pyridinyl]-diphenyl-lambda5-phosphane
CID 15899198
carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;bis(methanidyl(trimethyl)silane);yttrium(3+)
CID 58140360
carbanide;cyclopentyl-methylimino-diphenyl-λ5-phosphane;tris(methanidyl(trimethyl)silane);zirconium(4+)
CID 58140381
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
[2,6-di(propan-2-yl)phenyl]imino-(3H-inden-1-yl)-diphenyl-λ5-phosphane
CID 139104654
[2,6-di(propan-2-yl)phenyl]imino-[6-[[2,6-di(propan-2-yl)phenyl]imino-methyl-phenyl-λ5-phosphanyl]dibenzofuran-4-yl]-methyl-phenyl-λ5-phosphane
CID 139157975
[2,6-di(propan-2-yl)phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139122324
N-[1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 5242446
[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium?
The IUPAC name of carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium (CID 58140353) is carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium.
What is the SMILES notation for carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium?
The canonical SMILES for carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium is Br[Zr](Br)Br.CC(C)c1cccc(C(C)C)c1N=P(c1ccccc1)(c1ccccc1)C1CCCC1.[CH3-].
What is the InChIKey of carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium?
The InChIKey is PVAMFPJNBQCNNV-UHFFFAOYSA-K. The full InChI is InChI=1S/C29H36NP.CH3.3BrH.Zr/c1-22(2)27-20-13-21-28(23(3)4)29(27)30-31(26-18-11-12-19-26,24-14-7-5-8-15-24)25-16-9-6-10-17-25;;;;;/h5-10,13-17,20-23,26H,11-12,18-19H2,1-4H3;1H3;3*1H;/q;-1;;;;+3/p-3.
What are the key properties of carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium?
carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium has a molecular weight of 775.56 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentyl-[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphane;tribromozirconium is sourced from PubChem (CID 58140353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).