5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine

C30H28ClN5O — CID 56592641

IUPAC5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C30H28ClN5O/c1-37-24-14-10-21(11-15-24)33-27-18-30-28(17-26(27)34-22-5-4-16-32-19-22)35-25-6-2-3-7-29(25)36(30)23-12-8-20(31)9-13-23/h2-9,12-13,16-19,21,24,34H,10-11,14-15H2,1H3/b33-27+
InChIKeyBNRNTKBDBJYMAU-MUGXBBEHSA-N
MW510.04 g/mol
LogP6.78
Rot. Bonds5

About 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine (PubChem CID 56592641) has the molecular formula C30H28ClN5O and a molecular weight of 510.04 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine
PubChem CID56592641
Molecular FormulaC30H28ClN5O
Molecular Weight510.04 g/mol
Exact Mass509.20
IUPAC Name5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C30H28ClN5O/c1-37-24-14-10-21(11-15-24)33-27-18-30-28(17-26(27)34-22-5-4-16-32-19-22)35-25-6-2-3-7-29(25)36(30)23-12-8-20(31)9-13-23/h2-9,12-13,16-19,21,24,34H,10-11,14-15H2,1H3/b33-27+
InChIKeyBNRNTKBDBJYMAU-MUGXBBEHSA-N
XLogP6.78
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.04
LogP ≤ 56.78
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 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine (CID 56592641) is 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is BNRNTKBDBJYMAU-MUGXBBEHSA-N. The full InChI is InChI=1S/C30H28ClN5O/c1-37-24-14-10-21(11-15-24)33-27-18-30-28(17-26(27)34-22-5-4-16-32-19-22)35-25-6-2-3-7-29(25)36(30)23-12-8-20(31)9-13-23/h2-9,12-13,16-19,21,24,34H,10-11,14-15H2,1H3/b33-27+.
What are the key properties of 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 510.04 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-methoxycyclohexyl)imino-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 56592641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).