N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine

C29H27Cl2N5 — CID 14020608

IUPACN,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine
SMILESCC(CN(C)C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C29H27Cl2N5/c1-19(18-35(2)3)32-26-17-29-27(16-25(26)33-22-12-8-20(30)9-13-22)34-24-6-4-5-7-28(24)36(29)23-14-10-21(31)11-15-23/h4-17,19,33H,18H2,1-3H3/b32-26+
InChIKeyBCUQEIYALMYPBQ-HMZBKAONSA-N
MW516.48 g/mol
LogP7.03
Rot. Bonds6

About N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine

N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine (PubChem CID 14020608) has the molecular formula C29H27Cl2N5 and a molecular weight of 516.48 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine
PubChem CID14020608
Molecular FormulaC29H27Cl2N5
Molecular Weight516.48 g/mol
Exact Mass515.16
IUPAC NameN,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine
SMILESCC(CN(C)C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C29H27Cl2N5/c1-19(18-35(2)3)32-26-17-29-27(16-25(26)33-22-12-8-20(30)9-13-22)34-24-6-4-5-7-28(24)36(29)23-14-10-21(31)11-15-23/h4-17,19,33H,18H2,1-3H3/b32-26+
InChIKeyBCUQEIYALMYPBQ-HMZBKAONSA-N
XLogP7.03
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 57.03
H-Bond Donors ≤ 51
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 N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine (CID 14020608) is N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine is CC(CN(C)C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine?
The InChIKey is BCUQEIYALMYPBQ-HMZBKAONSA-N. The full InChI is InChI=1S/C29H27Cl2N5/c1-19(18-35(2)3)32-26-17-29-27(16-25(26)33-22-12-8-20(30)9-13-22)34-24-6-4-5-7-28(24)36(29)23-14-10-21(31)11-15-23/h4-17,19,33H,18H2,1-3H3/b32-26+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine has a molecular weight of 516.48 g/mol, XLogP of 7.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-[1-(dimethylamino)propan-2-ylimino]phenazin-2-amine is sourced from PubChem (CID 14020608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).