(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene

C52H50N4O — CID 144898711

IUPAC(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C/C=C\C=C.CC1(C)c2ccccc2N(c2ccc(N/C=C(\N)c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C41H34N4O.C6H8.C5H8/c1-41(2)32-11-3-5-13-35(32)44(36-14-6-4-12-33(36)41)31-25-21-29(22-26-31)43-27-34(42)28-19-23-30(24-20-28)45-37-15-7-9-17-39(37)46-40-18-10-8-16-38(40)45;1-3-5-6-4-2;1-3-5-4-2/h3-27,43H,42H2,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3/b34-27-;6-5-;5-4-
InChIKeyXAYDSEYAPOEAKV-KQAIQBPQSA-N
MW747.00 g/mol
LogP14.40
Rot. Bonds8

About (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene

(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene (PubChem CID 144898711) has the molecular formula C52H50N4O and a molecular weight of 747.00 g/mol. Its IUPAC name is (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
PubChem CID144898711
Molecular FormulaC52H50N4O
Molecular Weight747.00 g/mol
Exact Mass746.40
IUPAC Name(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C/C=C\C=C.CC1(C)c2ccccc2N(c2ccc(N/C=C(\N)c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C41H34N4O.C6H8.C5H8/c1-41(2)32-11-3-5-13-35(32)44(36-14-6-4-12-33(36)41)31-25-21-29(22-26-31)43-27-34(42)28-19-23-30(24-20-28)45-37-15-7-9-17-39(37)46-40-18-10-8-16-38(40)45;1-3-5-6-4-2;1-3-5-4-2/h3-27,43H,42H2,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3/b34-27-;6-5-;5-4-
InChIKeyXAYDSEYAPOEAKV-KQAIQBPQSA-N
XLogP14.40
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 514.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The IUPAC name of (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene (CID 144898711) is (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene.
What is the SMILES notation for (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The canonical SMILES for (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene is C=C/C=C\C.C=C/C=C\C=C.CC1(C)c2ccccc2N(c2ccc(N/C=C(\N)c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2)c2ccccc21.
What is the InChIKey of (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The InChIKey is XAYDSEYAPOEAKV-KQAIQBPQSA-N. The full InChI is InChI=1S/C41H34N4O.C6H8.C5H8/c1-41(2)32-11-3-5-13-35(32)44(36-14-6-4-12-33(36)41)31-25-21-29(22-26-31)43-27-34(42)28-19-23-30(24-20-28)45-37-15-7-9-17-39(37)46-40-18-10-8-16-38(40)45;1-3-5-6-4-2;1-3-5-4-2/h3-27,43H,42H2,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3/b34-27-;6-5-;5-4-.
What are the key properties of (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
(Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene has a molecular weight of 747.00 g/mol, XLogP of 14.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[4-(9,9-dimethylacridin-10-yl)phenyl]-1-(4-phenoxazin-10-ylphenyl)ethene-1,2-diamine;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144898711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).