bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)

C62H60N4O2 — CID 159108688

IUPACbis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
SMILESCc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/2C17H16O.2C14H14N2/c2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;2*1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h2*3-12H,1-2H3;2*3-10H,1-2H3/b2*12-9+;2*16-15+
InChIKeyKEFBWJMUKRPWNT-IXFDSBROSA-N
MW893.19 g/mol
LogP17.84
Rot. Bonds10

About bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)

bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one) (PubChem CID 159108688) has the molecular formula C62H60N4O2 and a molecular weight of 893.19 g/mol. Its IUPAC name is bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one).

Molecular Properties

Compound Namebis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
PubChem CID159108688
Molecular FormulaC62H60N4O2
Molecular Weight893.19 g/mol
Exact Mass892.47
IUPAC Namebis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)
SMILESCc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1
InChIInChI=1S/2C17H16O.2C14H14N2/c2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;2*1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h2*3-12H,1-2H3;2*3-10H,1-2H3/b2*12-9+;2*16-15+
InChIKeyKEFBWJMUKRPWNT-IXFDSBROSA-N
XLogP17.84
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.19
LogP ≤ 517.84
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
(E)-1,3-bis(4-methylphenyl)prop-2-en-1-one;diiodovanadium
CID 161393105
3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 3733090
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
[4-[3-(4-methylphenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
CID 5088278
2-[(E)-[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylideneamino]guanidine
CID 134157104
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
(Z)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54602092
(E)-3-(4-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 155515671
(E)-3-(3,5-dichlorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 138963100
(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042

Frequently Asked Questions

What is the IUPAC name of bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)?
The IUPAC name of bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one) (CID 159108688) is bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one).
What is the SMILES notation for bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)?
The canonical SMILES for bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one) is Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1.Cc1ccc(/N=N/c2ccc(C)cc2)cc1.
What is the InChIKey of bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)?
The InChIKey is KEFBWJMUKRPWNT-IXFDSBROSA-N. The full InChI is InChI=1S/2C17H16O.2C14H14N2/c2*1-13-3-7-15(8-4-13)9-12-17(18)16-10-5-14(2)6-11-16;2*1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h2*3-12H,1-2H3;2*3-10H,1-2H3/b2*12-9+;2*16-15+.
What are the key properties of bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one)?
bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one) has a molecular weight of 893.19 g/mol, XLogP of 17.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(4-methylphenyl)diazene);bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one) is sourced from PubChem (CID 159108688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).