N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline

C69H67N3O — CID 118245572

IUPACN-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
SMILESCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)cc1
InChIInChI=1S/C69H67N3O/c1-8-9-16-45-73-69-43-41-64(42-44-69)72(67-39-31-58(54(6)48-67)29-23-56-25-35-62(36-26-56)70(60-17-12-10-13-18-60)65-33-21-50(2)52(4)46-65)68-40-32-59(55(7)49-68)30-24-57-27-37-63(38-28-57)71(61-19-14-11-15-20-61)66-34-22-51(3)53(5)47-66/h10-15,17-44,46-49H,8-9,16,45H2,1-7H3/b29-23+,30-24+
InChIKeyBCSXKMBDGZZOPP-HCTXVGCHSA-N
MW954.32 g/mol
LogP19.86
Rot. Bonds18

About N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline

N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline (PubChem CID 118245572) has the molecular formula C69H67N3O and a molecular weight of 954.32 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
PubChem CID118245572
Molecular FormulaC69H67N3O
Molecular Weight954.32 g/mol
Exact Mass953.53
IUPAC NameN-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
SMILESCCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)cc1
InChIInChI=1S/C69H67N3O/c1-8-9-16-45-73-69-43-41-64(42-44-69)72(67-39-31-58(54(6)48-67)29-23-56-25-35-62(36-26-56)70(60-17-12-10-13-18-60)65-33-21-50(2)52(4)46-65)68-40-32-59(55(7)49-68)30-24-57-27-37-63(38-28-57)71(61-19-14-11-15-20-61)66-34-22-51(3)53(5)47-66/h10-15,17-44,46-49H,8-9,16,45H2,1-7H3/b29-23+,30-24+
InChIKeyBCSXKMBDGZZOPP-HCTXVGCHSA-N
XLogP19.86
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.32
LogP ≤ 519.86
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'}

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Related Compounds

3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
N-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
CID 22900179
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[(E)-2-(2,5-dibromothiophen-3-yl)ethenyl]-N,N-bis(4-octoxyphenyl)aniline
CID 101479951
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The IUPAC name of N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline (CID 118245572) is N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The canonical SMILES for N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline is CCCCCOc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3)c(C)c2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The InChIKey is BCSXKMBDGZZOPP-HCTXVGCHSA-N. The full InChI is InChI=1S/C69H67N3O/c1-8-9-16-45-73-69-43-41-64(42-44-69)72(67-39-31-58(54(6)48-67)29-23-56-25-35-62(36-26-56)70(60-17-12-10-13-18-60)65-33-21-50(2)52(4)46-65)68-40-32-59(55(7)49-68)30-24-57-27-37-63(38-28-57)71(61-19-14-11-15-20-61)66-34-22-51(3)53(5)47-66/h10-15,17-44,46-49H,8-9,16,45H2,1-7H3/b29-23+,30-24+.
What are the key properties of N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline has a molecular weight of 954.32 g/mol, XLogP of 19.86, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 118245572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).