(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene

C48H45N7O — CID 121288930

IUPAC(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene
SMILESCCCCCc1ccc(Oc2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cc6c(cc5C)N(C)CCC6)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H45N7O/c1-4-5-6-12-34-18-22-37(23-19-34)56-38-24-20-36(21-25-38)49-50-43-26-27-44(40-15-8-7-14-39(40)43)51-52-45-28-29-46(42-17-10-9-16-41(42)45)53-54-47-32-35-13-11-30-55(3)48(35)31-33(47)2/h7-10,14-29,31-32H,4-6,11-13,30H2,1-3H3/b50-49+,52-51+,54-53+
InChIKeyVCXDPQJTLSAKJS-QKZFEWMSSA-N
MW735.94 g/mol
LogP15.46
Rot. Bonds12

About (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene

(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene (PubChem CID 121288930) has the molecular formula C48H45N7O and a molecular weight of 735.94 g/mol. Its IUPAC name is (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene.

Molecular Properties

Compound Name(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene
PubChem CID121288930
Molecular FormulaC48H45N7O
Molecular Weight735.94 g/mol
Exact Mass735.37
IUPAC Name(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene
SMILESCCCCCc1ccc(Oc2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cc6c(cc5C)N(C)CCC6)c5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H45N7O/c1-4-5-6-12-34-18-22-37(23-19-34)56-38-24-20-36(21-25-38)49-50-43-26-27-44(40-15-8-7-14-39(40)43)51-52-45-28-29-46(42-17-10-9-16-41(42)45)53-54-47-32-35-13-11-30-55(3)48(35)31-33(47)2/h7-10,14-29,31-32H,4-6,11-13,30H2,1-3H3/b50-49+,52-51+,54-53+
InChIKeyVCXDPQJTLSAKJS-QKZFEWMSSA-N
XLogP15.46
TPSA86.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.94
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene?
The IUPAC name of (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene (CID 121288930) is (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene.
What is the SMILES notation for (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene?
The canonical SMILES for (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene is CCCCCc1ccc(Oc2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5cc6c(cc5C)N(C)CCC6)c5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene?
The InChIKey is VCXDPQJTLSAKJS-QKZFEWMSSA-N. The full InChI is InChI=1S/C48H45N7O/c1-4-5-6-12-34-18-22-37(23-19-34)56-38-24-20-36(21-25-38)49-50-43-26-27-44(40-15-8-7-14-39(40)43)51-52-45-28-29-46(42-17-10-9-16-41(42)45)53-54-47-32-35-13-11-30-55(3)48(35)31-33(47)2/h7-10,14-29,31-32H,4-6,11-13,30H2,1-3H3/b50-49+,52-51+,54-53+.
What are the key properties of (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene?
(1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene has a molecular weight of 735.94 g/mol, XLogP of 15.46, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[[4-[[4-(4-pentylphenoxy)phenyl]diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazene is sourced from PubChem (CID 121288930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).