4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline

C62H47N — CID 54461178

IUPAC4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
SMILESC(=Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H47N/c1-7-21-51(22-8-1)60(52-23-9-2-10-24-52)33-19-20-48-34-40-57(41-35-48)63(58-42-36-49(37-43-58)46-61(53-25-11-3-12-26-53)54-27-13-4-14-28-54)59-44-38-50(39-45-59)47-62(55-29-15-5-16-30-55)56-31-17-6-18-32-56/h1-47H
InChIKeyXBSXQBPDWGIXGZ-UHFFFAOYSA-N
MW806.07 g/mol
LogP16.48
Rot. Bonds13

About 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline

4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline (PubChem CID 54461178) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
PubChem CID54461178
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC Name4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
SMILESC(=Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H47N/c1-7-21-51(22-8-1)60(52-23-9-2-10-24-52)33-19-20-48-34-40-57(41-35-48)63(58-42-36-49(37-43-58)46-61(53-25-11-3-12-26-53)54-27-13-4-14-28-54)59-44-38-50(39-45-59)47-62(55-29-15-5-16-30-55)56-31-17-6-18-32-56/h1-47H
InChIKeyXBSXQBPDWGIXGZ-UHFFFAOYSA-N
XLogP16.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-diphenylaniline
CID 23069421
4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-[4-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]phenyl]-N-phenylaniline
CID 91386727
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline
CID 58607367
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-diethylaniline
CID 57303741
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline?
The IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline (CID 54461178) is 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline.
What is the SMILES notation for 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline?
The canonical SMILES for 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline is C(=Cc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline?
The InChIKey is XBSXQBPDWGIXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-7-21-51(22-8-1)60(52-23-9-2-10-24-52)33-19-20-48-34-40-57(41-35-48)63(58-42-36-49(37-43-58)46-61(53-25-11-3-12-26-53)54-27-13-4-14-28-54)59-44-38-50(39-45-59)47-62(55-29-15-5-16-30-55)56-31-17-6-18-32-56/h1-47H.
What are the key properties of 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline?
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline has a molecular weight of 806.07 g/mol, XLogP of 16.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline is sourced from PubChem (CID 54461178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).