N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline

C51H41N — CID 155077496

IUPACN-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
SMILESCc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=CC=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H41N/c1-40-20-22-42(23-21-40)28-30-44-32-36-49(37-33-44)52(48-17-9-4-10-18-48)50-38-34-45(35-39-50)31-29-43-26-24-41(25-27-43)12-11-19-51(46-13-5-2-6-14-46)47-15-7-3-8-16-47/h2-39H,1H3
InChIKeyXPTOQVBNWMSKHB-UHFFFAOYSA-N
MW667.90 g/mol
LogP13.95
Rot. Bonds11

About N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline

N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline (PubChem CID 155077496) has the molecular formula C51H41N and a molecular weight of 667.90 g/mol. Its IUPAC name is N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
PubChem CID155077496
Molecular FormulaC51H41N
Molecular Weight667.90 g/mol
Exact Mass667.32
IUPAC NameN-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
SMILESCc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=CC=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C51H41N/c1-40-20-22-42(23-21-40)28-30-44-32-36-49(37-33-44)52(48-17-9-4-10-18-48)50-38-34-45(35-39-50)31-29-43-26-24-41(25-27-43)12-11-19-51(46-13-5-2-6-14-46)47-15-7-3-8-16-47/h2-39H,1H3
InChIKeyXPTOQVBNWMSKHB-UHFFFAOYSA-N
XLogP13.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.90
LogP ≤ 513.95
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-[(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
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-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(2,2-diphenylethenyl)phenyl]aniline
CID 54461178
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
N-[4-(1-amino-4,4-diphenylbuta-1,3-dienyl)phenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-N-phenylaniline
CID 58607367
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N,N-bis(4-methoxyphenyl)aniline
CID 87385829

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The IUPAC name of N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline (CID 155077496) is N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The canonical SMILES for N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline is Cc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(C=Cc4ccc(C=CC=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline?
The InChIKey is XPTOQVBNWMSKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N/c1-40-20-22-42(23-21-40)28-30-44-32-36-49(37-33-44)52(48-17-9-4-10-18-48)50-38-34-45(35-39-50)31-29-43-26-24-41(25-27-43)12-11-19-51(46-13-5-2-6-14-46)47-15-7-3-8-16-47/h2-39H,1H3.
What are the key properties of N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline?
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline has a molecular weight of 667.90 g/mol, XLogP of 13.95, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline is sourced from PubChem (CID 155077496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).