4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline

C60H45NO3 — CID 59196876

IUPAC4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline
SMILESC=Cc1ccc(Oc2cccc(-c3ccc(N(c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C60H45NO3/c1-4-43-16-34-55(35-17-43)62-58-13-7-10-49(40-58)46-22-28-52(29-23-46)61(53-30-24-47(25-31-53)50-11-8-14-59(41-50)63-56-36-18-44(5-2)19-37-56)54-32-26-48(27-33-54)51-12-9-15-60(42-51)64-57-38-20-45(6-3)21-39-57/h4-42H,1-3H2
InChIKeyPSNIVQQZVUYDKF-UHFFFAOYSA-N
MW828.02 g/mol
LogP17.46
Rot. Bonds15

About 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline

4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline (PubChem CID 59196876) has the molecular formula C60H45NO3 and a molecular weight of 828.02 g/mol. Its IUPAC name is 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline
PubChem CID59196876
Molecular FormulaC60H45NO3
Molecular Weight828.02 g/mol
Exact Mass827.34
IUPAC Name4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline
SMILESC=Cc1ccc(Oc2cccc(-c3ccc(N(c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C60H45NO3/c1-4-43-16-34-55(35-17-43)62-58-13-7-10-49(40-58)46-22-28-52(29-23-46)61(53-30-24-47(25-31-53)50-11-8-14-59(41-50)63-56-36-18-44(5-2)19-37-56)54-32-26-48(27-33-54)51-12-9-15-60(42-51)64-57-38-20-45(6-3)21-39-57/h4-42H,1-3H2
InChIKeyPSNIVQQZVUYDKF-UHFFFAOYSA-N
XLogP17.46
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.02
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-[4-[3-(4-formylphenoxy)phenyl]-N-[4-[3-(4-methoxyphenoxy)phenyl]phenyl]anilino]phenyl]phenoxy]benzaldehyde
CID 87414261
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541591
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[3-(4-fluorophenyl)phenyl]phenyl]fluoren-2-amine
CID 170541530
4-ethenoxy-N-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-methylphenoxy)phenyl]aniline
CID 121321414
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
3-[3-(3-ethenylphenyl)phenyl]-N-[4-[4-(N-[3-[3-(3-ethenylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 58113558
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline?
The IUPAC name of 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline (CID 59196876) is 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline?
The canonical SMILES for 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline is C=Cc1ccc(Oc2cccc(-c3ccc(N(c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)c4ccc(-c5cccc(Oc6ccc(C=C)cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline?
The InChIKey is PSNIVQQZVUYDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO3/c1-4-43-16-34-55(35-17-43)62-58-13-7-10-49(40-58)46-22-28-52(29-23-46)61(53-30-24-47(25-31-53)50-11-8-14-59(41-50)63-56-36-18-44(5-2)19-37-56)54-32-26-48(27-33-54)51-12-9-15-60(42-51)64-57-38-20-45(6-3)21-39-57/h4-42H,1-3H2.
What are the key properties of 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline?
4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline has a molecular weight of 828.02 g/mol, XLogP of 17.46, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethenylphenoxy)phenyl]-N,N-bis[4-[3-(4-ethenylphenoxy)phenyl]phenyl]aniline is sourced from PubChem (CID 59196876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).