(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine

C33H24N4O — CID 163682932

IUPAC(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc2c(c1)C(c1ccncc1)(c1ccncc1)c1ccccc1O2)c1ccccc1
InChIInChI=1S/C33H24N4O/c34-29(23-6-2-1-3-7-23)11-12-30(35)24-10-13-32-28(22-24)33(25-14-18-36-19-15-25,26-16-20-37-21-17-26)27-8-4-5-9-31(27)38-32/h1-22,34-35H/b12-11-,34-29-,35-30-
InChIKeyJMIPJFNNOQTRHS-SMVHADQFSA-N
MW492.58 g/mol
LogP6.96
Rot. Bonds6

About (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine

(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine (PubChem CID 163682932) has the molecular formula C33H24N4O and a molecular weight of 492.58 g/mol. Its IUPAC name is (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
PubChem CID163682932
Molecular FormulaC33H24N4O
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc2c(c1)C(c1ccncc1)(c1ccncc1)c1ccccc1O2)c1ccccc1
InChIInChI=1S/C33H24N4O/c34-29(23-6-2-1-3-7-23)11-12-30(35)24-10-13-32-28(22-24)33(25-14-18-36-19-15-25,26-16-20-37-21-17-26)27-8-4-5-9-31(27)38-32/h1-22,34-35H/b12-11-,34-29-,35-30-
InChIKeyJMIPJFNNOQTRHS-SMVHADQFSA-N
XLogP6.96
TPSA82.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
CID 155443498
[(Z)-4-imino-4-phenyl-1-(6-spiro[fluorene-9,9'-xanthene]-3'-yl-2-pyridinyl)but-2-enylidene]azanium
CID 163458235
(Z)-1-(9,9-dimethylthioxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
CID 166908314
(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine
CID 155442732
CID 166569822
CID 166569822
(Z)-1-[2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenylbut-2-ene-1,4-diimine
CID 138574374
benzenecarboximidoyl spiro[cyclohexane-1,9'-xanthene]-2'-carboximidothioate
CID 166908524
N,9,9-triphenylxanthen-2-amine
CID 169292905
2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146388522
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine (CID 163682932) is (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine is [H]/N=C(/C=C\C(=N\[H])c1ccc2c(c1)C(c1ccncc1)(c1ccncc1)c1ccccc1O2)c1ccccc1.
What is the InChIKey of (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine?
The InChIKey is JMIPJFNNOQTRHS-SMVHADQFSA-N. The full InChI is InChI=1S/C33H24N4O/c34-29(23-6-2-1-3-7-23)11-12-30(35)24-10-13-32-28(22-24)33(25-14-18-36-19-15-25,26-16-20-37-21-17-26)27-8-4-5-9-31(27)38-32/h1-22,34-35H/b12-11-,34-29-,35-30-.
What are the key properties of (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine?
(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine has a molecular weight of 492.58 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine is sourced from PubChem (CID 163682932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).