N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine

C26H29ClN2 — CID 174372380

IUPACN'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2/c1-3-28-19-20-29(4-2)24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18,28H,3-4,19-20H2,1-2H3/b26-25-
InChIKeyFSWDYJVUFFQSLS-QPLCGJKRSA-N
MW404.99 g/mol
LogP6.28
Rot. Bonds9

About N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine

N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine (PubChem CID 174372380) has the molecular formula C26H29ClN2 and a molecular weight of 404.99 g/mol. Its IUPAC name is N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine
PubChem CID174372380
Molecular FormulaC26H29ClN2
Molecular Weight404.99 g/mol
Exact Mass404.20
IUPAC NameN'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)c1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H29ClN2/c1-3-28-19-20-29(4-2)24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18,28H,3-4,19-20H2,1-2H3/b26-25-
InChIKeyFSWDYJVUFFQSLS-QPLCGJKRSA-N
XLogP6.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.99
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine (CID 174372380) is N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)c1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine?
The InChIKey is FSWDYJVUFFQSLS-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H29ClN2/c1-3-28-19-20-29(4-2)24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18,28H,3-4,19-20H2,1-2H3/b26-25-.
What are the key properties of N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine?
N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine has a molecular weight of 404.99 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl]-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 174372380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).