N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt

C34H39Cl2CoNP2 — CID 164672463

IUPACN,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt
SMILESCl[Co]Cl.c1ccc(P(CCN(CCP(c2ccccc2)c2ccccc2)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C34H39NP2.2ClH.Co/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;;;/h2-5,8-15,18-25,30H,1,6-7,16-17,26-29H2;2*1H;/q;;;+2/p-2
InChIKeyRQGSYLIKAOZORW-UHFFFAOYSA-L
MW653.48 g/mol
LogP8.26
Rot. Bonds11

About N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt

N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt (PubChem CID 164672463) has the molecular formula C34H39Cl2CoNP2 and a molecular weight of 653.48 g/mol. Its IUPAC name is N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt.

Molecular Properties

Compound NameN,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt
PubChem CID164672463
Molecular FormulaC34H39Cl2CoNP2
Molecular Weight653.48 g/mol
Exact Mass652.13
IUPAC NameN,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt
SMILESCl[Co]Cl.c1ccc(P(CCN(CCP(c2ccccc2)c2ccccc2)C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C34H39NP2.2ClH.Co/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;;;/h2-5,8-15,18-25,30H,1,6-7,16-17,26-29H2;2*1H;/q;;;+2/p-2
InChIKeyRQGSYLIKAOZORW-UHFFFAOYSA-L
XLogP8.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.48
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt?
The IUPAC name of N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt (CID 164672463) is N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt.
What is the SMILES notation for N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt?
The canonical SMILES for N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt is Cl[Co]Cl.c1ccc(P(CCN(CCP(c2ccccc2)c2ccccc2)C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt?
The InChIKey is RQGSYLIKAOZORW-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H39NP2.2ClH.Co/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;;;/h2-5,8-15,18-25,30H,1,6-7,16-17,26-29H2;2*1H;/q;;;+2/p-2.
What are the key properties of N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt?
N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt has a molecular weight of 653.48 g/mol, XLogP of 8.26, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-diphenylphosphanylethyl)cyclohexanamine;dichlorocobalt is sourced from PubChem (CID 164672463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).