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

C52H48N2 — CID 22900179

IUPACN-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C52H48N2/c1-37-21-29-49(33-39(37)3)53(47-17-9-7-10-18-47)51-31-27-43(41(5)35-51)23-25-45-15-13-14-16-46(45)26-24-44-28-32-52(36-42(44)6)54(48-19-11-8-12-20-48)50-30-22-38(2)40(4)34-50/h7-36H,1-6H3/b25-23+,26-24+
InChIKeyHLJUEMLDSPVALL-OGGGYYITSA-N
MW700.97 g/mol
LogP14.82
Rot. Bonds10

About 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

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 (PubChem CID 22900179) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
PubChem CID22900179
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC NameN-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C52H48N2/c1-37-21-29-49(33-39(37)3)53(47-17-9-7-10-18-47)51-31-27-43(41(5)35-51)23-25-45-15-13-14-16-46(45)26-24-44-28-32-52(36-42(44)6)54(48-19-11-8-12-20-48)50-30-22-38(2)40(4)34-50/h7-36H,1-6H3/b25-23+,26-24+
InChIKeyHLJUEMLDSPVALL-OGGGYYITSA-N
XLogP14.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.82
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-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899848
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687
3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920412
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-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
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
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
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
4-[(E)-(diphenylhydrazinylidene)methyl]-3-methyl-N,N-diphenylaniline
CID 15044303
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899863
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccccc2)c2ccc(/C=C/c3ccccc3/C=C/c3ccc(N(c4ccccc4)c4ccc(C)c(C)c4)cc3C)c(C)c2)cc1C.
What is the InChIKey of 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?
The InChIKey is HLJUEMLDSPVALL-OGGGYYITSA-N. The full InChI is InChI=1S/C52H48N2/c1-37-21-29-49(33-39(37)3)53(47-17-9-7-10-18-47)51-31-27-43(41(5)35-51)23-25-45-15-13-14-16-46(45)26-24-44-28-32-52(36-42(44)6)54(48-19-11-8-12-20-48)50-30-22-38(2)40(4)34-50/h7-36H,1-6H3/b25-23+,26-24+.
What are the key properties of 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?
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 has a molecular weight of 700.97 g/mol, XLogP of 14.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22900179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).