N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline

C43H40N2 — CID 91106273

IUPACN-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C43H40N2/c1-33-13-11-12-18-42(33)45(41-31-25-36(26-32-41)43(2,3)4)40-29-23-35(24-30-40)20-19-34-21-27-39(28-22-34)44(37-14-7-5-8-15-37)38-16-9-6-10-17-38/h5-32H,1-4H3
InChIKeyXUYWRPLQRUUJBV-UHFFFAOYSA-N
MW584.81 g/mol
LogP12.40
Rot. Bonds8

About N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline

N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline (PubChem CID 91106273) has the molecular formula C43H40N2 and a molecular weight of 584.81 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
PubChem CID91106273
Molecular FormulaC43H40N2
Molecular Weight584.81 g/mol
Exact Mass584.32
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C43H40N2/c1-33-13-11-12-18-42(33)45(41-31-25-36(26-32-41)43(2,3)4)40-29-23-35(24-30-40)20-19-34-21-27-39(28-22-34)44(37-14-7-5-8-15-37)38-16-9-6-10-17-38/h5-32H,1-4H3
InChIKeyXUYWRPLQRUUJBV-UHFFFAOYSA-N
XLogP12.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 512.40
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

2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
N-(4-tert-butylphenyl)-4-methyl-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89067836
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 91295251
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline (CID 91106273) is N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline is Cc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline?
The InChIKey is XUYWRPLQRUUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N2/c1-33-13-11-12-18-42(33)45(41-31-25-36(26-32-41)43(2,3)4)40-29-23-35(24-30-40)20-19-34-21-27-39(28-22-34)44(37-14-7-5-8-15-37)38-16-9-6-10-17-38/h5-32H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline?
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline has a molecular weight of 584.81 g/mol, XLogP of 12.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline is sourced from PubChem (CID 91106273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).