4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline

C56H54N4 — CID 10908911

IUPAC4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=Cc2ccc3ccccc3c2-c2c(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)ccc3ccccc23)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C56H54N4/c1-57(2)47-29-21-41(22-30-47)53(42-23-31-48(32-24-42)58(3)4)37-45-19-17-39-13-9-11-15-51(39)55(45)56-46(20-18-40-14-10-12-16-52(40)56)38-54(43-25-33-49(34-26-43)59(5)6)44-27-35-50(36-28-44)60(7)8/h9-38H,1-8H3
InChIKeyGVTHRUJDUOSDLL-UHFFFAOYSA-N
MW783.08 g/mol
LogP13.10
Rot. Bonds11

About 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline

4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 10908911) has the molecular formula C56H54N4 and a molecular weight of 783.08 g/mol. Its IUPAC name is 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID10908911
Molecular FormulaC56H54N4
Molecular Weight783.08 g/mol
Exact Mass782.43
IUPAC Name4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=Cc2ccc3ccccc3c2-c2c(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)ccc3ccccc23)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C56H54N4/c1-57(2)47-29-21-41(22-30-47)53(42-23-31-48(32-24-42)58(3)4)37-45-19-17-39-13-9-11-15-51(39)55(45)56-46(20-18-40-14-10-12-16-52(40)56)38-54(43-25-33-49(34-26-43)59(5)6)44-27-35-50(36-28-44)60(7)8/h9-38H,1-8H3
InChIKeyGVTHRUJDUOSDLL-UHFFFAOYSA-N
XLogP13.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.08
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline (CID 10908911) is 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(C(=Cc2ccc3ccccc3c2-c2c(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)ccc3ccccc23)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is GVTHRUJDUOSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54N4/c1-57(2)47-29-21-41(22-30-47)53(42-23-31-48(32-24-42)58(3)4)37-45-19-17-39-13-9-11-15-51(39)55(45)56-46(20-18-40-14-10-12-16-52(40)56)38-54(43-25-33-49(34-26-43)59(5)6)44-27-35-50(36-28-44)60(7)8/h9-38H,1-8H3.
What are the key properties of 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline?
4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 783.08 g/mol, XLogP of 13.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[2-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 10908911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).