(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine

C41H30N2O — CID 155442732

IUPAC(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3C3C=CC=CC32)cc1)c1ccccc1
InChIInChI=1S/C41H30N2O/c42-37(28-10-2-1-3-11-28)23-24-38(43)29-20-18-27(19-21-29)30-22-25-40-36(26-30)41(35-16-8-9-17-39(35)44-40)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41/h1-26,31,33,42-43H/b24-23-,42-37-,43-38-
InChIKeyNTQZBFOYAPOZOH-FKXPICIISA-N
MW566.70 g/mol
LogP9.63
Rot. Bonds5

About (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine

(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine (PubChem CID 155442732) has the molecular formula C41H30N2O and a molecular weight of 566.70 g/mol. Its IUPAC name is (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine
PubChem CID155442732
Molecular FormulaC41H30N2O
Molecular Weight566.70 g/mol
Exact Mass566.24
IUPAC Name(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine
SMILES[H]/N=C(/C=C\C(=N\[H])c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3C3C=CC=CC32)cc1)c1ccccc1
InChIInChI=1S/C41H30N2O/c42-37(28-10-2-1-3-11-28)23-24-38(43)29-20-18-27(19-21-29)30-22-25-40-36(26-30)41(35-16-8-9-17-39(35)44-40)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41/h1-26,31,33,42-43H/b24-23-,42-37-,43-38-
InChIKeyNTQZBFOYAPOZOH-FKXPICIISA-N
XLogP9.63
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 59.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
4,6-diphenyl-2-(5-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyrimidine
CID 155442435
(Z)-4-imino-1-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)but-2-en-1-amine
CID 155443498
4-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-yl]naphthalene-1-carbonitrile
CID 163748208
(Z)-1-(9,9-dipyridin-4-ylxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
CID 163682932
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
CID 155443305

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine (CID 155442732) is (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine is [H]/N=C(/C=C\C(=N\[H])c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3C3C=CC=CC32)cc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine?
The InChIKey is NTQZBFOYAPOZOH-FKXPICIISA-N. The full InChI is InChI=1S/C41H30N2O/c42-37(28-10-2-1-3-11-28)23-24-38(43)29-20-18-27(19-21-29)30-22-25-40-36(26-30)41(35-16-8-9-17-39(35)44-40)33-14-6-4-12-31(33)32-13-5-7-15-34(32)41/h1-26,31,33,42-43H/b24-23-,42-37-,43-38-.
What are the key properties of (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine?
(Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine has a molecular weight of 566.70 g/mol, XLogP of 9.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-4-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)but-2-ene-1,4-diimine is sourced from PubChem (CID 155442732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).