(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene

C29H23FN6 — CID 146496958

IUPAC(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(F)cc5)c5ccccc45)ccc(c23)N1
InChIInChI=1S/C29H23FN6/c1-29(2)31-26-9-5-8-22-25(16-17-27(32-29)28(22)26)36-35-24-15-14-23(20-6-3-4-7-21(20)24)34-33-19-12-10-18(30)11-13-19/h3-17,31-32H,1-2H3/b34-33+,36-35+
InChIKeyKGILTDWTEQRWHR-WXBFSDFVSA-N
MW474.54 g/mol
LogP9.54
Rot. Bonds4

About (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene

(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene (PubChem CID 146496958) has the molecular formula C29H23FN6 and a molecular weight of 474.54 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene
PubChem CID146496958
Molecular FormulaC29H23FN6
Molecular Weight474.54 g/mol
Exact Mass474.20
IUPAC Name(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(F)cc5)c5ccccc45)ccc(c23)N1
InChIInChI=1S/C29H23FN6/c1-29(2)31-26-9-5-8-22-25(16-17-27(32-29)28(22)26)36-35-24-15-14-23(20-6-3-4-7-21(20)24)34-33-19-12-10-18(30)11-13-19/h3-17,31-32H,1-2H3/b34-33+,36-35+
InChIKeyKGILTDWTEQRWHR-WXBFSDFVSA-N
XLogP9.54
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene?
The IUPAC name of (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene (CID 146496958) is (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene.
What is the SMILES notation for (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene?
The canonical SMILES for (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene is CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccc(F)cc5)c5ccccc45)ccc(c23)N1.
What is the InChIKey of (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene?
The InChIKey is KGILTDWTEQRWHR-WXBFSDFVSA-N. The full InChI is InChI=1S/C29H23FN6/c1-29(2)31-26-9-5-8-22-25(16-17-27(32-29)28(22)26)36-35-24-15-14-23(20-6-3-4-7-21(20)24)34-33-19-12-10-18(30)11-13-19/h3-17,31-32H,1-2H3/b34-33+,36-35+.
What are the key properties of (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene?
(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene has a molecular weight of 474.54 g/mol, XLogP of 9.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dihydroperimidin-6-yl)-[4-[(4-fluorophenyl)diazenyl]naphthalen-1-yl]diazene is sourced from PubChem (CID 146496958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).