N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine

C43H27NO2 — CID 169305180

IUPACN-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H27NO2/c1-2-12-27(13-3-1)29-24-25-37(41-32-15-5-9-19-38(32)46-42(29)41)44-28-22-23-31-30-14-4-6-16-33(30)43(36(31)26-28)34-17-7-10-20-39(34)45-40-21-11-8-18-35(40)43/h1-26,44H
InChIKeyIASSRKJAJCSEIM-UHFFFAOYSA-N
MW589.69 g/mol
LogP11.47
Rot. Bonds3

About N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 169305180) has the molecular formula C43H27NO2 and a molecular weight of 589.69 g/mol. Its IUPAC name is N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID169305180
Molecular FormulaC43H27NO2
Molecular Weight589.69 g/mol
Exact Mass589.20
IUPAC NameN-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H27NO2/c1-2-12-27(13-3-1)29-24-25-37(41-32-15-5-9-19-38(32)46-42(29)41)44-28-22-23-31-30-14-4-6-16-33(30)43(36(31)26-28)34-17-7-10-20-39(34)45-40-21-11-8-18-35(40)43/h1-26,44H
InChIKeyIASSRKJAJCSEIM-UHFFFAOYSA-N
XLogP11.47
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176624729
N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 150606722
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-dibenzofuran-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166960056
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477714
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 169305180) is N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)c3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is IASSRKJAJCSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO2/c1-2-12-27(13-3-1)29-24-25-37(41-32-15-5-9-19-38(32)46-42(29)41)44-28-22-23-31-30-14-4-6-16-33(30)43(36(31)26-28)34-17-7-10-20-39(34)45-40-21-11-8-18-35(40)43/h1-26,44H.
What are the key properties of N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 589.69 g/mol, XLogP of 11.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 169305180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).