N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene

C56H61N5O — CID 144898763

IUPACN-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C/C=C\C=C.CC.CC.[H]/N=N/C(=C\Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C41H33N5O.C6H8.C5H8.2C2H6/c1-41(2)32-11-3-5-13-35(32)45(36-14-6-4-12-33(36)41)30-23-19-28(20-24-30)34(44-42)27-43-29-21-25-31(26-22-29)46-37-15-7-9-17-39(37)47-40-18-10-8-16-38(40)46;1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-27,42-43H,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3;2*1-2H3/b34-27-,44-42+;6-5-;5-4-;;
InChIKeyMENXVNMCMILFML-SFDQXCEFSA-N
MW820.14 g/mol
LogP17.53
Rot. Bonds9

About N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene

N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene (PubChem CID 144898763) has the molecular formula C56H61N5O and a molecular weight of 820.14 g/mol. Its IUPAC name is N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound NameN-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
PubChem CID144898763
Molecular FormulaC56H61N5O
Molecular Weight820.14 g/mol
Exact Mass819.49
IUPAC NameN-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.C=C/C=C\C=C.CC.CC.[H]/N=N/C(=C\Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1
InChIInChI=1S/C41H33N5O.C6H8.C5H8.2C2H6/c1-41(2)32-11-3-5-13-35(32)45(36-14-6-4-12-33(36)41)30-23-19-28(20-24-30)34(44-42)27-43-29-21-25-31(26-22-29)46-37-15-7-9-17-39(37)47-40-18-10-8-16-38(40)46;1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-27,42-43H,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3;2*1-2H3/b34-27-,44-42+;6-5-;5-4-;;
InChIKeyMENXVNMCMILFML-SFDQXCEFSA-N
XLogP17.53
TPSA63.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.14
LogP ≤ 517.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The IUPAC name of N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene (CID 144898763) is N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene.
What is the SMILES notation for N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The canonical SMILES for N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene is C=C/C=C\C.C=C/C=C\C=C.CC.CC.[H]/N=N/C(=C\Nc1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3C(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
The InChIKey is MENXVNMCMILFML-SFDQXCEFSA-N. The full InChI is InChI=1S/C41H33N5O.C6H8.C5H8.2C2H6/c1-41(2)32-11-3-5-13-35(32)45(36-14-6-4-12-33(36)41)30-23-19-28(20-24-30)34(44-42)27-43-29-21-25-31(26-22-29)46-37-15-7-9-17-39(37)47-40-18-10-8-16-38(40)46;1-3-5-6-4-2;1-3-5-4-2;2*1-2/h3-27,42-43H,1-2H3;3-6H,1-2H2;3-5H,1H2,2H3;2*1-2H3/b34-27-,44-42+;6-5-;5-4-;;.
What are the key properties of N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene?
N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene has a molecular weight of 820.14 g/mol, XLogP of 17.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-diazenyl-2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-4-phenoxazin-10-ylaniline;ethane;(3Z)-hexa-1,3,5-triene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144898763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).