N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline

C54H46N2 — CID 59933553

IUPACN-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccc(C)c(C)c6)cc5)ccc4c3)cc2)cc1C
InChIInChI=1S/C54H46N2/c1-39-15-29-53(35-41(39)3)55(49-11-7-5-8-12-49)51-31-23-43(24-32-51)17-19-45-21-27-48-38-46(22-28-47(48)37-45)20-18-44-25-33-52(34-26-44)56(50-13-9-6-10-14-50)54-30-16-40(2)42(4)36-54/h5-38H,1-4H3
InChIKeyYLXLJKSCVVTAJA-UHFFFAOYSA-N
MW722.98 g/mol
LogP15.35
Rot. Bonds10

About N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline

N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline (PubChem CID 59933553) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
PubChem CID59933553
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC NameN-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccc(C)c(C)c6)cc5)ccc4c3)cc2)cc1C
InChIInChI=1S/C54H46N2/c1-39-15-29-53(35-41(39)3)55(49-11-7-5-8-12-49)51-31-23-43(24-32-51)17-19-45-21-27-48-38-46(22-28-47(48)37-45)20-18-44-25-33-52(34-26-44)56(50-13-9-6-10-14-50)54-30-16-40(2)42(4)36-54/h5-38H,1-4H3
InChIKeyYLXLJKSCVVTAJA-UHFFFAOYSA-N
XLogP15.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 515.35
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

4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 59923921
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
N-[4-[(Z)-2-[6-[(Z)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methyl-N-phenylaniline
CID 59905387
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
CID 54520687

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The IUPAC name of 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) is N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline.
What is the SMILES notation for N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The canonical SMILES for N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(C=Cc3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccc(C)c(C)c6)cc5)ccc4c3)cc2)cc1C.
What is the InChIKey of N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
The InChIKey is YLXLJKSCVVTAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-39-15-29-53(35-41(39)3)55(49-11-7-5-8-12-49)51-31-23-43(24-32-51)17-19-45-21-27-48-38-46(22-28-47(48)37-45)20-18-44-25-33-52(34-26-44)56(50-13-9-6-10-14-50)54-30-16-40(2)42(4)36-54/h5-38H,1-4H3.
What are the key properties of N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline?
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline has a molecular weight of 722.98 g/mol, XLogP of 15.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 59933553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).