N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine

C41H37N — CID 90936439

IUPACN-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(C(C)C)cc4)cc3)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C41H37N/c1-29(2)34-15-11-32(12-16-34)9-10-33-13-17-36(18-14-33)37-19-22-39(23-20-37)42(41-26-30(3)25-31(4)27-41)40-24-21-35-7-5-6-8-38(35)28-40/h5-29H,1-4H3
InChIKeyZJDXGGIAKGEJOT-UHFFFAOYSA-N
MW543.75 g/mol
LogP11.89
Rot. Bonds7

About N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine

N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 90936439) has the molecular formula C41H37N and a molecular weight of 543.75 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
PubChem CID90936439
Molecular FormulaC41H37N
Molecular Weight543.75 g/mol
Exact Mass543.29
IUPAC NameN-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(C(C)C)cc4)cc3)cc2)c2ccc3ccccc3c2)c1
InChIInChI=1S/C41H37N/c1-29(2)34-15-11-32(12-16-34)9-10-33-13-17-36(18-14-33)37-19-22-39(23-20-37)42(41-26-30(3)25-31(4)27-41)40-24-21-35-7-5-6-8-38(35)28-40/h5-29H,1-4H3
InChIKeyZJDXGGIAKGEJOT-UHFFFAOYSA-N
XLogP11.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.75
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
N-(3,5-dimethylphenyl)-16-phenyl-N-(4-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032850
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
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
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 58596504
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine (CID 90936439) is N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine is Cc1cc(C)cc(N(c2ccc(-c3ccc(C=Cc4ccc(C(C)C)cc4)cc3)cc2)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine?
The InChIKey is ZJDXGGIAKGEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37N/c1-29(2)34-15-11-32(12-16-34)9-10-33-13-17-36(18-14-33)37-19-22-39(23-20-37)42(41-26-30(3)25-31(4)27-41)40-24-21-35-7-5-6-8-38(35)28-40/h5-29H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine?
N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 543.75 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 90936439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).