acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane

C32H38ClN4P — CID 142881752

IUPACacridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
SMILESCCCCC.Nc1c2c(nc3cc(Cl)ccc13)CCCC2.Nc1c2ccccc2nc2ccccc12.[H]P=C
InChIInChI=1S/C13H13ClN2.C13H10N2.C5H12.CH3P/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-5-4-2;1-2/h5-7H,1-4H2,(H2,15,16);1-8H,(H2,14,15);3-5H2,1-2H3;2H,1H2
InChIKeyDBBMOLMRZCTJBK-UHFFFAOYSA-N
MW545.11 g/mol
LogP9.08
Rot. Bonds2

About acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane

acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane (PubChem CID 142881752) has the molecular formula C32H38ClN4P and a molecular weight of 545.11 g/mol. Its IUPAC name is acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane.

Molecular Properties

Compound Nameacridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
PubChem CID142881752
Molecular FormulaC32H38ClN4P
Molecular Weight545.11 g/mol
Exact Mass544.25
IUPAC Nameacridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane
SMILESCCCCC.Nc1c2c(nc3cc(Cl)ccc13)CCCC2.Nc1c2ccccc2nc2ccccc12.[H]P=C
InChIInChI=1S/C13H13ClN2.C13H10N2.C5H12.CH3P/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-5-4-2;1-2/h5-7H,1-4H2,(H2,15,16);1-8H,(H2,14,15);3-5H2,1-2H3;2H,1H2
InChIKeyDBBMOLMRZCTJBK-UHFFFAOYSA-N
XLogP9.08
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.11
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697
6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
CID 51040023
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
6-methyl-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
CID 164616381
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 67068837
1-N-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,2-diamine
CID 174981001

Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane?
The IUPAC name of acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane (CID 142881752) is acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane.
What is the SMILES notation for acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane?
The canonical SMILES for acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane is CCCCC.Nc1c2c(nc3cc(Cl)ccc13)CCCC2.Nc1c2ccccc2nc2ccccc12.[H]P=C.
What is the InChIKey of acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane?
The InChIKey is DBBMOLMRZCTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2.C13H10N2.C5H12.CH3P/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-3-5-4-2;1-2/h5-7H,1-4H2,(H2,15,16);1-8H,(H2,14,15);3-5H2,1-2H3;2H,1H2.
What are the key properties of acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane?
acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane has a molecular weight of 545.11 g/mol, XLogP of 9.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-amine;6-chloro-1,2,3,4-tetrahydroacridin-9-amine;methylidenephosphane;pentane is sourced from PubChem (CID 142881752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).