2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine

C56H60N4 — CID 20710101

IUPAC2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine
SMILESC/C=C/c1cc(N(c2ccccc2)c2ccncc2)c(/C=C/c2ccc3c(CCCCCC)c(C)ccc3c2CCCCCC)cc1N(c1ccccc1)c1ccncc1
InChIInChI=1S/C56H60N4/c1-5-8-10-18-25-51-43(4)27-31-54-52(26-19-11-9-6-2)44(30-32-53(51)54)28-29-46-42-55(59(47-21-14-12-15-22-47)49-33-37-57-38-34-49)45(20-7-3)41-56(46)60(48-23-16-13-17-24-48)50-35-39-58-40-36-50/h7,12-17,20-24,27-42H,5-6,8-11,18-19,25-26H2,1-4H3/b20-7+,29-28+
InChIKeyZUMDZONDHLSYAD-BFSQSCBOSA-N
MW789.12 g/mol
LogP16.33
Rot. Bonds19

About 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine

2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine (PubChem CID 20710101) has the molecular formula C56H60N4 and a molecular weight of 789.12 g/mol. Its IUPAC name is 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine
PubChem CID20710101
Molecular FormulaC56H60N4
Molecular Weight789.12 g/mol
Exact Mass788.48
IUPAC Name2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine
SMILESC/C=C/c1cc(N(c2ccccc2)c2ccncc2)c(/C=C/c2ccc3c(CCCCCC)c(C)ccc3c2CCCCCC)cc1N(c1ccccc1)c1ccncc1
InChIInChI=1S/C56H60N4/c1-5-8-10-18-25-51-43(4)27-31-54-52(26-19-11-9-6-2)44(30-32-53(51)54)28-29-46-42-55(59(47-21-14-12-15-22-47)49-33-37-57-38-34-49)45(20-7-3)41-56(46)60(48-23-16-13-17-24-48)50-35-39-58-40-36-50/h7,12-17,20-24,27-42H,5-6,8-11,18-19,25-26H2,1-4H3/b20-7+,29-28+
InChIKeyZUMDZONDHLSYAD-BFSQSCBOSA-N
XLogP16.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.12
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[4-(2-methyl-6-octoxy-10-phenylanthracen-9-yl)phenyl]ethenyl]-1-N,1-N,4-N,4-N-tetraphenyl-5-[(E)-prop-1-enyl]benzene-1,4-diamine
CID 20710105
2-nonyl-3-prop-1-enylphenol
CID 140652201
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dioctyl-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 87307828
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
dodecylbenzene;pyridine
CID 174718010
4-octadecyl-N,N-diphenylaniline
CID 162035815
9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 118901482
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 88559543
2-hexyl-4-methylquinoline
CID 504074
N,N-dimethylpyridin-4-amine;octane;dihydrobromide
CID 174752520

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine?
The IUPAC name of 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine (CID 20710101) is 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine is C/C=C/c1cc(N(c2ccccc2)c2ccncc2)c(/C=C/c2ccc3c(CCCCCC)c(C)ccc3c2CCCCCC)cc1N(c1ccccc1)c1ccncc1.
What is the InChIKey of 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine?
The InChIKey is ZUMDZONDHLSYAD-BFSQSCBOSA-N. The full InChI is InChI=1S/C56H60N4/c1-5-8-10-18-25-51-43(4)27-31-54-52(26-19-11-9-6-2)44(30-32-53(51)54)28-29-46-42-55(59(47-21-14-12-15-22-47)49-33-37-57-38-34-49)45(20-7-3)41-56(46)60(48-23-16-13-17-24-48)50-35-39-58-40-36-50/h7,12-17,20-24,27-42H,5-6,8-11,18-19,25-26H2,1-4H3/b20-7+,29-28+.
What are the key properties of 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine?
2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine has a molecular weight of 789.12 g/mol, XLogP of 16.33, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,5-dihexyl-6-methylnaphthalen-2-yl)ethenyl]-1-N,4-N-diphenyl-5-[(E)-prop-1-enyl]-1-N,4-N-dipyridin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 20710101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).