3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline

C52H42N2 — CID 89068068

IUPAC3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C52H42N2/c1-39-16-32-49(33-17-39)54(52-15-9-10-40(2)38-52)51-36-30-46(31-37-51)44-26-22-42(23-27-44)19-18-41-20-24-43(25-21-41)45-28-34-50(35-29-45)53(47-11-5-3-6-12-47)48-13-7-4-8-14-48/h3-38H,1-2H3/b19-18+
InChIKeyCCRRJZCMQVKCOO-VHEBQXMUSA-N
MW694.92 g/mol
LogP14.75
Rot. Bonds10

About 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline

3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline (PubChem CID 89068068) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
PubChem CID89068068
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C52H42N2/c1-39-16-32-49(33-17-39)54(52-15-9-10-40(2)38-52)51-36-30-46(31-37-51)44-26-22-42(23-27-44)19-18-41-20-24-43(25-21-41)45-28-34-50(35-29-45)53(47-11-5-3-6-12-47)48-13-7-4-8-14-48/h3-38H,1-2H3/b19-18+
InChIKeyCCRRJZCMQVKCOO-VHEBQXMUSA-N
XLogP14.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline (CID 89068068) is 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline is Cc1ccc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline?
The InChIKey is CCRRJZCMQVKCOO-VHEBQXMUSA-N. The full InChI is InChI=1S/C52H42N2/c1-39-16-32-49(33-17-39)54(52-15-9-10-40(2)38-52)51-36-30-46(31-37-51)44-26-22-42(23-27-44)19-18-41-20-24-43(25-21-41)45-28-34-50(35-29-45)53(47-11-5-3-6-12-47)48-13-7-4-8-14-48/h3-38H,1-2H3/b19-18+.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline?
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline has a molecular weight of 694.92 g/mol, XLogP of 14.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 89068068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).