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

C43H39N — CID 76600737

IUPACN-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H39N/c1-31-5-19-37(20-6-31)43(38-21-7-32(2)8-22-38)39-23-15-35(16-24-39)13-14-36-17-29-42(30-18-36)44(40-25-9-33(3)10-26-40)41-27-11-34(4)12-28-41/h5-30,43H,1-4H3
InChIKeyDNUILXIKYYAYEB-UHFFFAOYSA-N
MW569.79 g/mol
LogP11.74
Rot. Bonds8

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

N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 76600737) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID76600737
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H39N/c1-31-5-19-37(20-6-31)43(38-21-7-32(2)8-22-38)39-23-15-35(16-24-39)13-14-36-17-29-42(30-18-36)44(40-25-9-33(3)10-26-40)41-27-11-34(4)12-28-41/h5-30,43H,1-4H3
InChIKeyDNUILXIKYYAYEB-UHFFFAOYSA-N
XLogP11.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 511.74
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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Related Compounds

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
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 134272422
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2,3,5,6-tetrafluoro-4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59041372
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-methyl-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]anilino)benzenethiol
CID 143060501
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 76600737) is N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(C(c2ccc(C)cc2)c2ccc(C=Cc3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is DNUILXIKYYAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-31-5-19-37(20-6-31)43(38-21-7-32(2)8-22-38)39-23-15-35(16-24-39)13-14-36-17-29-42(30-18-36)44(40-25-9-33(3)10-26-40)41-27-11-34(4)12-28-41/h5-30,43H,1-4H3.
What are the key properties of N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 569.79 g/mol, XLogP of 11.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 76600737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).