8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine

C30H28ClN5O — CID 14020664

IUPAC8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine
SMILESClc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CCN3CCOCC3)cc-1n2-c1ccccc1
InChIInChI=1S/C30H28ClN5O/c31-22-11-12-29-27(19-22)34-28-20-26(33-23-7-3-1-4-8-23)25(32-13-14-35-15-17-37-18-16-35)21-30(28)36(29)24-9-5-2-6-10-24/h1-12,19-21,33H,13-18H2/b32-25+
InChIKeySSVYXPIGDQWUQE-WGPBWIAQSA-N
MW510.04 g/mol
LogP5.76
Rot. Bonds6

About 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine

8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine (PubChem CID 14020664) has the molecular formula C30H28ClN5O and a molecular weight of 510.04 g/mol. Its IUPAC name is 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine.

Molecular Properties

Compound Name8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine
PubChem CID14020664
Molecular FormulaC30H28ClN5O
Molecular Weight510.04 g/mol
Exact Mass509.20
IUPAC Name8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine
SMILESClc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CCN3CCOCC3)cc-1n2-c1ccccc1
InChIInChI=1S/C30H28ClN5O/c31-22-11-12-29-27(19-22)34-28-20-26(33-23-7-3-1-4-8-23)25(32-13-14-35-15-17-37-18-16-35)21-30(28)36(29)24-9-5-2-6-10-24/h1-12,19-21,33H,13-18H2/b32-25+
InChIKeySSVYXPIGDQWUQE-WGPBWIAQSA-N
XLogP5.76
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.04
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine?
The IUPAC name of 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine (CID 14020664) is 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine.
What is the SMILES notation for 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine?
The canonical SMILES for 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine is Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CCN3CCOCC3)cc-1n2-c1ccccc1.
What is the InChIKey of 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine?
The InChIKey is SSVYXPIGDQWUQE-WGPBWIAQSA-N. The full InChI is InChI=1S/C30H28ClN5O/c31-22-11-12-29-27(19-22)34-28-20-26(33-23-7-3-1-4-8-23)25(32-13-14-35-15-17-37-18-16-35)21-30(28)36(29)24-9-5-2-6-10-24/h1-12,19-21,33H,13-18H2/b32-25+.
What are the key properties of 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine?
8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine has a molecular weight of 510.04 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-morpholin-4-ylethylimino)-N,5-diphenylphenazin-2-amine is sourced from PubChem (CID 14020664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).