4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol

C30H26Cl2N4O — CID 14020606

IUPAC4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol
SMILESOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H26Cl2N4O/c31-19-5-9-21(10-6-19)33-26-17-28-30(18-27(26)34-22-11-15-24(37)16-12-22)36(23-13-7-20(32)8-14-23)29-4-2-1-3-25(29)35-28/h1-10,13-14,17-18,22,24,33,37H,11-12,15-16H2/b34-27+
InChIKeyYTVAVOFXJPQEIU-DNGXXSEMSA-N
MW529.47 g/mol
LogP7.38
Rot. Bonds4

About 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol

4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol (PubChem CID 14020606) has the molecular formula C30H26Cl2N4O and a molecular weight of 529.47 g/mol. Its IUPAC name is 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol
PubChem CID14020606
Molecular FormulaC30H26Cl2N4O
Molecular Weight529.47 g/mol
Exact Mass528.15
IUPAC Name4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol
SMILESOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H26Cl2N4O/c31-19-5-9-21(10-6-19)33-26-17-28-30(18-27(26)34-22-11-15-24(37)16-12-22)36(23-13-7-20(32)8-14-23)29-4-2-1-3-25(29)35-28/h1-10,13-14,17-18,22,24,33,37H,11-12,15-16H2/b34-27+
InChIKeyYTVAVOFXJPQEIU-DNGXXSEMSA-N
XLogP7.38
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol (CID 14020606) is 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol is OC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol?
The InChIKey is YTVAVOFXJPQEIU-DNGXXSEMSA-N. The full InChI is InChI=1S/C30H26Cl2N4O/c31-19-5-9-21(10-6-19)33-26-17-28-30(18-27(26)34-22-11-15-24(37)16-12-22)36(23-13-7-20(32)8-14-23)29-4-2-1-3-25(29)35-28/h1-10,13-14,17-18,22,24,33,37H,11-12,15-16H2/b34-27+.
What are the key properties of 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol?
4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol has a molecular weight of 529.47 g/mol, XLogP of 7.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]cyclohexan-1-ol is sourced from PubChem (CID 14020606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).