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

C27H20Cl4N4 — CID 635889

IUPACN,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3nc-2cc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H20Cl4N4/c1-15(2)32-24-14-27-25(13-23(24)33-16-7-9-18(28)20(30)11-16)34-22-5-3-4-6-26(22)35(27)17-8-10-19(29)21(31)12-17/h3-15,33H,1-2H3/b32-24+
InChIKeyJUTNHNOKIAIJJF-FEZSWGLMSA-N
MW542.30 g/mol
LogP8.80
Rot. Bonds4

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

N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 635889) has the molecular formula C27H20Cl4N4 and a molecular weight of 542.30 g/mol. Its IUPAC name is N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound NameN,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
PubChem CID635889
Molecular FormulaC27H20Cl4N4
Molecular Weight542.30 g/mol
Exact Mass540.04
IUPAC NameN,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3nc-2cc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H20Cl4N4/c1-15(2)32-24-14-27-25(13-23(24)33-16-7-9-18(28)20(30)11-16)34-22-5-3-4-6-26(22)35(27)17-8-10-19(29)21(31)12-17/h3-15,33H,1-2H3/b32-24+
InChIKeyJUTNHNOKIAIJJF-FEZSWGLMSA-N
XLogP8.80
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.30
LogP ≤ 58.80
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

5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66805955
N,5-bis(3,4-dichlorophenyl)-3-(3-pyrrolidin-1-ylpropylimino)phenazin-2-amine
CID 25254484
5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine
CID 66805882
5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66806289
1-[5-[[3-propan-2-ylimino-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]propan-2-one
CID 160716464
3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805850
5-(4-fluorophenyl)-N-(6-methoxy-3,4-dihydropyridin-5-yl)-3-propan-2-yliminophenazin-2-amine
CID 68632662
N,5-bis(3-chloro-4-fluorophenyl)-3-[6-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)hexylimino]phenazin-2-amine;hydrochloride
CID 118721508
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
5-(3,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805579
3-(4-ethoxybutan-2-ylimino)-N-(6-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 123944991
N,5-bis(4-chlorophenyl)-3-(3-morpholin-4-ylpropylimino)phenazin-2-amine
CID 14020622

Frequently Asked Questions

What is the IUPAC name of N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine (CID 635889) is N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine is CC(C)/N=c1\cc2n(-c3ccc(Cl)c(Cl)c3)c3ccccc3nc-2cc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine?
The InChIKey is JUTNHNOKIAIJJF-FEZSWGLMSA-N. The full InChI is InChI=1S/C27H20Cl4N4/c1-15(2)32-24-14-27-25(13-23(24)33-16-7-9-18(28)20(30)11-16)34-22-5-3-4-6-26(22)35(27)17-8-10-19(29)21(31)12-17/h3-15,33H,1-2H3/b32-24+.
What are the key properties of N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine?
N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 542.30 g/mol, XLogP of 8.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 635889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).