2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one

C29H26N6O — CID 102448148

IUPAC2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
SMILESCN(C)c1ccc(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4ccc(N(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C29H26N6O/c1-34(2)23-11-5-19(6-12-23)30-32-21-9-15-25-26-16-10-22(18-28(26)29(36)27(25)17-21)33-31-20-7-13-24(14-8-20)35(3)4/h5-18H,1-4H3/b32-30+,33-31+
InChIKeyHJSLMUFMSNKAMU-RRPBDJRISA-N
MW474.57 g/mol
LogP7.86
Rot. Bonds6

About 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one

2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one (PubChem CID 102448148) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
PubChem CID102448148
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
SMILESCN(C)c1ccc(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4ccc(N(C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C29H26N6O/c1-34(2)23-11-5-19(6-12-23)30-32-21-9-15-25-26-16-10-22(18-28(26)29(36)27(25)17-21)33-31-20-7-13-24(14-8-20)35(3)4/h5-18H,1-4H3/b32-30+,33-31+
InChIKeyHJSLMUFMSNKAMU-RRPBDJRISA-N
XLogP7.86
TPSA72.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one?
The IUPAC name of 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one (CID 102448148) is 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one is CN(C)c1ccc(/N=N/c2ccc3c(c2)C(=O)c2cc(/N=N/c4ccc(N(C)C)cc4)ccc2-3)cc1.
What is the InChIKey of 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one?
The InChIKey is HJSLMUFMSNKAMU-RRPBDJRISA-N. The full InChI is InChI=1S/C29H26N6O/c1-34(2)23-11-5-19(6-12-23)30-32-21-9-15-25-26-16-10-22(18-28(26)29(36)27(25)17-21)33-31-20-7-13-24(14-8-20)35(3)4/h5-18H,1-4H3/b32-30+,33-31+.
What are the key properties of 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one?
2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one has a molecular weight of 474.57 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one is sourced from PubChem (CID 102448148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).