bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride

C67H66Cl10Cr2N4O — CID 139157821

IUPACbis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride
SMILESC1CCOC1.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.ClCCl.ClCCl.ClCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Cr+4].[Cr+4]
InChIInChI=1S/2C30H26N2.C4H8O.3CH2Cl2.4ClH.2Cr/c2*1-19-11-9-12-20(2)27(19)31-29-25-17-7-5-15-23(25)24-16-6-8-18-26(24)30(29)32-28-21(3)13-10-14-22(28)4;1-2-4-5-3-1;3*2-1-3;;;;;;/h2*5-18H,1-4H3;1-4H2;3*1H2;4*1H;;/q2*-2;;;;;;;;;2*+4/p-4
InChIKeyMTHNZDQIKINRMB-UHFFFAOYSA-J
MW1401.81 g/mol
LogP12.87
Rot. Bonds8

About bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride

bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride (PubChem CID 139157821) has the molecular formula C67H66Cl10Cr2N4O and a molecular weight of 1401.81 g/mol. Its IUPAC name is bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride.

Molecular Properties

Compound Namebis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride
PubChem CID139157821
Molecular FormulaC67H66Cl10Cr2N4O
Molecular Weight1401.81 g/mol
Exact Mass1396.09
IUPAC Namebis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride
SMILESC1CCOC1.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.ClCCl.ClCCl.ClCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Cr+4].[Cr+4]
InChIInChI=1S/2C30H26N2.C4H8O.3CH2Cl2.4ClH.2Cr/c2*1-19-11-9-12-20(2)27(19)31-29-25-17-7-5-15-23(25)24-16-6-8-18-26(24)30(29)32-28-21(3)13-10-14-22(28)4;1-2-4-5-3-1;3*2-1-3;;;;;;/h2*5-18H,1-4H3;1-4H2;3*1H2;4*1H;;/q2*-2;;;;;;;;;2*+4/p-4
InChIKeyMTHNZDQIKINRMB-UHFFFAOYSA-J
XLogP12.87
TPSA65.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.81
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride?
The IUPAC name of bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride (CID 139157821) is bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride.
What is the SMILES notation for bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride?
The canonical SMILES for bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride is C1CCOC1.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.Cc1cccc(C)c1[N-]c1c([N-]c2c(C)cccc2C)c2ccccc2c2ccccc12.ClCCl.ClCCl.ClCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Cr+4].[Cr+4].
What is the InChIKey of bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride?
The InChIKey is MTHNZDQIKINRMB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C30H26N2.C4H8O.3CH2Cl2.4ClH.2Cr/c2*1-19-11-9-12-20(2)27(19)31-29-25-17-7-5-15-23(25)24-16-6-8-18-26(24)30(29)32-28-21(3)13-10-14-22(28)4;1-2-4-5-3-1;3*2-1-3;;;;;;/h2*5-18H,1-4H3;1-4H2;3*1H2;4*1H;;/q2*-2;;;;;;;;;2*+4/p-4.
What are the key properties of bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride?
bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride has a molecular weight of 1401.81 g/mol, XLogP of 12.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(4+));tris(dichloromethane);bis((2,6-dimethylphenyl)-[10-(2,6-dimethylphenyl)azanidylphenanthren-9-yl]azanide);oxolane;tetrachloride is sourced from PubChem (CID 139157821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).