N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C53H49N — CID 59366099

IUPACN-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3cc(C)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C)cc2)cc1
InChIInChI=1S/C53H49N/c1-37-7-21-45(22-8-37)53(46-23-9-38(2)10-24-46)47-25-15-43(16-26-47)17-27-48-35-42(6)49(36-41(48)5)28-18-44-19-33-52(34-20-44)54(50-29-11-39(3)12-30-50)51-31-13-40(4)14-32-51/h7-36,53H,1-6H3
InChIKeyBTKURXOBJCDPCZ-UHFFFAOYSA-N
MW699.98 g/mol
LogP14.53
Rot. Bonds10

About N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 59366099) has the molecular formula C53H49N and a molecular weight of 699.98 g/mol. Its IUPAC name is N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID59366099
Molecular FormulaC53H49N
Molecular Weight699.98 g/mol
Exact Mass699.39
IUPAC NameN-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3cc(C)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C)cc2)cc1
InChIInChI=1S/C53H49N/c1-37-7-21-45(22-8-37)53(46-23-9-38(2)10-24-46)47-25-15-43(16-26-47)17-27-48-35-42(6)49(36-41(48)5)28-18-44-19-33-52(34-20-44)54(50-29-11-39(3)12-30-50)51-31-13-40(4)14-32-51/h7-36,53H,1-6H3
InChIKeyBTKURXOBJCDPCZ-UHFFFAOYSA-N
XLogP14.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.98
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 59366099) is N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3cc(C)c(C=Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3C)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is BTKURXOBJCDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N/c1-37-7-21-45(22-8-37)53(46-23-9-38(2)10-24-46)47-25-15-43(16-26-47)17-27-48-35-42(6)49(36-41(48)5)28-18-44-19-33-52(34-20-44)54(50-29-11-39(3)12-30-50)51-31-13-40(4)14-32-51/h7-36,53H,1-6H3.
What are the key properties of N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 699.98 g/mol, XLogP of 14.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]-2,5-dimethylphenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 59366099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).