N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

C27H22Cl2N4 — CID 2794

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IUPACN,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
InChIKeyWDQPAMHFFCXSNU-BGABXYSRSA-N
MW473.41 g/mol
LogP7.49
Rot. Bonds4

About N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 2794) has the molecular formula C27H22Cl2N4 and a molecular weight of 473.41 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID2794
Molecular FormulaC27H22Cl2N4
Molecular Weight473.41 g/mol
Exact Mass472.12
IUPAC NameN,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+
InChIKeyWDQPAMHFFCXSNU-BGABXYSRSA-N
XLogP7.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N,5-diphenyl-3-propylimino-phenazin-2-amine
CID 473666
B 749
CID 132669
Tetrahydro-2-(bis(2-chloroethyl)amino)-3-(isopropylmethyl)-2H-1,3,2-oxazaphosphorine 2-oxide
CID 473699
3-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 101879118
N,5-bis(4-chlorophenyl)-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylimino)phenazin-2-amine;hydrochloride
CID 118721489
N,5-diphenyl-3-(2-pyrrolidin-1-ylethylimino)phenazin-2-amine;hydrochloride
CID 118721495
3-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721741
3-[2-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721744
3-[3-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]propylimino]-N,5-bis(4-chlorophenyl)phenazin-2-amine
CID 118721745
5-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-3-propan-2-yliminophenazin-2-amine
CID 168270980
(3E)-N-(4-chlorophenyl)-3-isopropylimino-5-phenyl-phenazin-2-amine
CID 456266
N,5-Bis[4-fluorophenyl]-3,5-dihydro-3-[[1-methylethyl]imino]-2-phenazinamine
CID 634909

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine (CID 2794) is N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine is CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is WDQPAMHFFCXSNU-BGABXYSRSA-N. The full InChI is InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 473.41 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 2794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).