3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline

C26H22N2 — CID 10428749

IUPAC3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
SMILESNc1cccc(C(=C(c2ccccc2)c2ccccc2)c2cccc(N)c2)c1
InChIInChI=1S/C26H22N2/c27-23-15-7-13-21(17-23)26(22-14-8-16-24(28)18-22)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H,27-28H2
InChIKeyDCBVSCWVVCEXJP-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.86
Rot. Bonds4

About 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline

3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline (PubChem CID 10428749) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline.

Molecular Properties

Compound Name3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
PubChem CID10428749
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
SMILESNc1cccc(C(=C(c2ccccc2)c2ccccc2)c2cccc(N)c2)c1
InChIInChI=1S/C26H22N2/c27-23-15-7-13-21(17-23)26(22-14-8-16-24(28)18-22)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H,27-28H2
InChIKeyDCBVSCWVVCEXJP-UHFFFAOYSA-N
XLogP5.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
(3-aminophenyl)-phenylmethanone
CID 17817
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-aminobenzoic acid;azane
CID 159954068
(3-aminobenzoyl)azanium
CID 142343873
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
3-(3-aminobenzoyl)benzoic acid
CID 18974175
cesium 3-aminobenzoate
CID 134897140
3-aminobenzoic acid;prop-1-yne
CID 88718779
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
[amino-(3-aminophenyl)methylidene]azanium
CID 6931095

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline?
The IUPAC name of 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline (CID 10428749) is 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline.
What is the SMILES notation for 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline?
The canonical SMILES for 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline is Nc1cccc(C(=C(c2ccccc2)c2ccccc2)c2cccc(N)c2)c1.
What is the InChIKey of 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline?
The InChIKey is DCBVSCWVVCEXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c27-23-15-7-13-21(17-23)26(22-14-8-16-24(28)18-22)25(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-18H,27-28H2.
What are the key properties of 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline?
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline has a molecular weight of 362.48 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline is sourced from PubChem (CID 10428749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).