4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline

C31H34N2 — CID 70463488

IUPAC4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C(c2ccccc2)c2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C31H34N2/c1-5-22-32(23-6-2)29-18-14-27(15-19-29)31(26-12-10-9-11-13-26)28-16-20-30(21-17-28)33(24-7-3)25-8-4/h5-21,31H,1-4,22-25H2
InChIKeyIERONPGMFPPQHQ-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.22
Rot. Bonds13

About 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline

4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline (PubChem CID 70463488) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
PubChem CID70463488
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC Name4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(C(c2ccccc2)c2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C31H34N2/c1-5-22-32(23-6-2)29-18-14-27(15-19-29)31(26-12-10-9-11-13-26)28-16-20-30(21-17-28)33(24-7-3)25-8-4/h5-21,31H,1-4,22-25H2
InChIKeyIERONPGMFPPQHQ-UHFFFAOYSA-N
XLogP7.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline (CID 70463488) is 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(C(c2ccccc2)c2ccc(N(CC=C)CC=C)cc2)cc1.
What is the InChIKey of 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline?
The InChIKey is IERONPGMFPPQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-5-22-32(23-6-2)29-18-14-27(15-19-29)31(26-12-10-9-11-13-26)28-16-20-30(21-17-28)33(24-7-3)25-8-4/h5-21,31H,1-4,22-25H2.
What are the key properties of 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline?
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline has a molecular weight of 434.63 g/mol, XLogP of 7.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 70463488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).