4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline

C50H42N2 — CID 175318072

IUPAC4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(C(=Cc2ccccc2)c2ccc(C#Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C50H42N2/c1-37-10-26-45(27-11-37)51(46-28-12-38(2)13-29-46)47-34-22-42(23-35-47)19-18-41-20-24-44(25-21-41)50(36-43-8-6-5-7-9-43)52(48-30-14-39(3)15-31-48)49-32-16-40(4)17-33-49/h5-17,20-36H,1-4H3
InChIKeyCNCRXYOGBCVPNA-UHFFFAOYSA-N
MW670.90 g/mol
LogP13.13
Rot. Bonds8

About 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 175318072) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID175318072
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(C(=Cc2ccccc2)c2ccc(C#Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C50H42N2/c1-37-10-26-45(27-11-37)51(46-28-12-38(2)13-29-46)47-34-22-42(23-35-47)19-18-41-20-24-44(25-21-41)50(36-43-8-6-5-7-9-43)52(48-30-14-39(3)15-31-48)49-32-16-40(4)17-33-49/h5-17,20-36H,1-4H3
InChIKeyCNCRXYOGBCVPNA-UHFFFAOYSA-N
XLogP13.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928
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CID 66614363
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
1-[3-benzylidene-5-(4-methylphenyl)penta-1,4-diynyl]-4-methylbenzene
CID 101369756
4-methyl-N-(4-methylphenyl)-N-[4-[4-[1-[4-(N-phenylanilino)phenyl]prop-1-en-2-yl]phenyl]phenyl]aniline
CID 76600728
4-methyl-N-[4-[2-[4-[4-[2-[4-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethynyl]phenyl]phenyl]ethynyl]-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethynyl]phenyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59498693
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-methyl-N-(4-methylphenyl)-N-(2-phenyl-1-quinolin-2-ylethenyl)aniline
CID 67702981
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
CID 132850322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline (CID 175318072) is 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(C(=Cc2ccccc2)c2ccc(C#Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is CNCRXYOGBCVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-37-10-26-45(27-11-37)51(46-28-12-38(2)13-29-46)47-34-22-42(23-35-47)19-18-41-20-24-44(25-21-41)50(36-43-8-6-5-7-9-43)52(48-30-14-39(3)15-31-48)49-32-16-40(4)17-33-49/h5-17,20-36H,1-4H3.
What are the key properties of 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 670.90 g/mol, XLogP of 13.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[2-[4-[1-(4-methyl-N-(4-methylphenyl)anilino)-2-phenylethenyl]phenyl]ethynyl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 175318072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).