N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline

C42H36N2 — CID 89417368

IUPACN-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(N(c4ccccc4)c4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H36N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h3-14,17-32H,1-2,15-16H2
InChIKeyRVTOAZZHZLDRJA-UHFFFAOYSA-N
MW568.76 g/mol
LogP11.70
Rot. Bonds11

About N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline

N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline (PubChem CID 89417368) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
PubChem CID89417368
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC NameN-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
SMILESC=Cc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(N(c4ccccc4)c4ccc(C=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C42H36N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h3-14,17-32H,1-2,15-16H2
InChIKeyRVTOAZZHZLDRJA-UHFFFAOYSA-N
XLogP11.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline?
The IUPAC name of N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline (CID 89417368) is N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline.
What is the SMILES notation for N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline?
The canonical SMILES for N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline is C=Cc1ccc(N(c2ccccc2)c2ccc(CCc3ccc(N(c4ccccc4)c4ccc(C=C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline?
The InChIKey is RVTOAZZHZLDRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2/c1-3-33-17-25-39(26-18-33)43(37-11-7-5-8-12-37)41-29-21-35(22-30-41)15-16-36-23-31-42(32-24-36)44(38-13-9-6-10-14-38)40-27-19-34(4-2)20-28-40/h3-14,17-32H,1-2,15-16H2.
What are the key properties of N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline?
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline has a molecular weight of 568.76 g/mol, XLogP of 11.70, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline is sourced from PubChem (CID 89417368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).