3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline

C38H33Cl2N — CID 71366790

IUPAC3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline
SMILESClc1cc(Cl)cc(N(CCC=C(c2ccccc2)c2ccccc2)CCC=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H33Cl2N/c39-34-27-35(40)29-36(28-34)41(25-13-23-37(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-14-24-38(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-24,27-29H,13-14,25-26H2
InChIKeyUGTZVHXXCRCELD-UHFFFAOYSA-N
MW574.60 g/mol
LogP10.84
Rot. Bonds11

About 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline

3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline (PubChem CID 71366790) has the molecular formula C38H33Cl2N and a molecular weight of 574.60 g/mol. Its IUPAC name is 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline
PubChem CID71366790
Molecular FormulaC38H33Cl2N
Molecular Weight574.60 g/mol
Exact Mass573.20
IUPAC Name3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline
SMILESClc1cc(Cl)cc(N(CCC=C(c2ccccc2)c2ccccc2)CCC=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C38H33Cl2N/c39-34-27-35(40)29-36(28-34)41(25-13-23-37(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-14-24-38(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-24,27-29H,13-14,25-26H2
InChIKeyUGTZVHXXCRCELD-UHFFFAOYSA-N
XLogP10.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline?
The IUPAC name of 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline (CID 71366790) is 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline.
What is the SMILES notation for 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline?
The canonical SMILES for 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline is Clc1cc(Cl)cc(N(CCC=C(c2ccccc2)c2ccccc2)CCC=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline?
The InChIKey is UGTZVHXXCRCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33Cl2N/c39-34-27-35(40)29-36(28-34)41(25-13-23-37(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-14-24-38(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-24,27-29H,13-14,25-26H2.
What are the key properties of 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline?
3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline has a molecular weight of 574.60 g/mol, XLogP of 10.84, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N,N-bis(4,4-diphenylbut-3-enyl)aniline is sourced from PubChem (CID 71366790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).