N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine

C33H35Cl2N5 — CID 10460697

IUPACN,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine
SMILESCCN(CC)CCCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C33H35Cl2N5/c1-4-39(5-2)20-8-9-23(3)36-30-22-33-31(21-29(30)37-26-16-12-24(34)13-17-26)38-28-10-6-7-11-32(28)40(33)27-18-14-25(35)15-19-27/h6-7,10-19,21-23,37H,4-5,8-9,20H2,1-3H3/b36-30+
InChIKeyHPBJJUSZXGMGSW-FMIFUCRQSA-N
MW572.58 g/mol
LogP8.59
Rot. Bonds10

About N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine

N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine (PubChem CID 10460697) has the molecular formula C33H35Cl2N5 and a molecular weight of 572.58 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine
PubChem CID10460697
Molecular FormulaC33H35Cl2N5
Molecular Weight572.58 g/mol
Exact Mass571.23
IUPAC NameN,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine
SMILESCCN(CC)CCCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIInChI=1S/C33H35Cl2N5/c1-4-39(5-2)20-8-9-23(3)36-30-22-33-31(21-29(30)37-26-16-12-24(34)13-17-26)38-28-10-6-7-11-32(28)40(33)27-18-14-25(35)15-19-27/h6-7,10-19,21-23,37H,4-5,8-9,20H2,1-3H3/b36-30+
InChIKeyHPBJJUSZXGMGSW-FMIFUCRQSA-N
XLogP8.59
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.58
LogP ≤ 58.59
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-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine?
The IUPAC name of N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine (CID 10460697) is N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine?
The canonical SMILES for N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine is CCN(CC)CCCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine?
The InChIKey is HPBJJUSZXGMGSW-FMIFUCRQSA-N. The full InChI is InChI=1S/C33H35Cl2N5/c1-4-39(5-2)20-8-9-23(3)36-30-22-33-31(21-29(30)37-26-16-12-24(34)13-17-26)38-28-10-6-7-11-32(28)40(33)27-18-14-25(35)15-19-27/h6-7,10-19,21-23,37H,4-5,8-9,20H2,1-3H3/b36-30+.
What are the key properties of N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine?
N,5-bis(4-chlorophenyl)-3-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine has a molecular weight of 572.58 g/mol, XLogP of 8.59, 10 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-[5-(diethylamino)pentan-2-ylimino]phenazin-2-amine is sourced from PubChem (CID 10460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).