(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine

C41H35N5O — CID 144898728

About (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine

(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine (PubChem CID 144898728) has the molecular formula C41H35N5O and a molecular weight of 613.77 g/mol. Its IUPAC name is (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine.

Molecular Properties

• Compound Name: (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine
• PubChem CID: 144898728
• Molecular Formula: C41H35N5O
• Molecular Weight: 613.77 g/mol
• Exact Mass: 613.28
• IUPAC Name: (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine
• SMILES: CC1(C)c2ccccc2N(c2ccc(/C(N)=C/N(N)c3cccc(N4c5ccccc5Oc5ccccc54)c3)cc2)c2ccccc21
• InChI: InChI=1S/C41H35N5O/c1-41(2)32-14-3-5-16-35(32)45(36-17-6-4-15-33(36)41)29-24-22-28(23-25-29)34(42)27-44(43)30-12-11-13-31(26-30)46-37-18-7-9-20-39(37)47-40-21-10-8-19-38(40)46/h3-27H,42-43H2,1-2H3/b34-27-
• InChIKey: MBHMHJBNRAMUHT-YLHCSOALSA-N
• XLogP: 10.01
• TPSA: 70.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.77
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine?

The IUPAC name of (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine (CID 144898728) is (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine.

What is the SMILES notation for (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine?

The canonical SMILES for (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine is CC1(C)c2ccccc2N(c2ccc(/C(N)=C/N(N)c3cccc(N4c5ccccc5Oc5ccccc54)c3)cc2)c2ccccc21.

What is the InChIKey of (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine?

The InChIKey is MBHMHJBNRAMUHT-YLHCSOALSA-N. The full InChI is InChI=1S/C41H35N5O/c1-41(2)32-14-3-5-16-35(32)45(36-17-6-4-15-33(36)41)29-24-22-28(23-25-29)34(42)27-44(43)30-12-11-13-31(26-30)46-37-18-7-9-20-39(37)47-40-21-10-8-19-38(40)46/h3-27H,42-43H2,1-2H3/b34-27-.

What are the key properties of (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine?

(Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine has a molecular weight of 613.77 g/mol, XLogP of 10.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-(N-amino-3-phenoxazin-10-ylanilino)-1-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenamine is sourced from PubChem (CID 144898728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).