N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C74H45NO3 — CID 138476993

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C74H45NO3/c1-4-23-58-53(19-1)55-41-37-48(44-64(55)73(58)60-25-6-11-30-67(60)77-68-31-12-7-26-61(68)73)47-17-15-18-50(43-47)75(49-38-35-46(36-39-49)52-22-16-34-71-72(52)57-21-3-10-29-66(57)76-71)51-40-42-56-54-20-2-5-24-59(54)74(65(56)45-51)62-27-8-13-32-69(62)78-70-33-14-9-28-63(70)74/h1-45H
InChIKeyJBNMRYGXSMMQKP-UHFFFAOYSA-N
MW996.18 g/mol
LogP19.33
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476993) has the molecular formula C74H45NO3 and a molecular weight of 996.18 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138476993
Molecular FormulaC74H45NO3
Molecular Weight996.18 g/mol
Exact Mass995.34
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C74H45NO3/c1-4-23-58-53(19-1)55-41-37-48(44-64(55)73(58)60-25-6-11-30-67(60)77-68-31-12-7-26-61(68)73)47-17-15-18-50(43-47)75(49-38-35-46(36-39-49)52-22-16-34-71-72(52)57-21-3-10-29-66(57)76-71)51-40-42-56-54-20-2-5-24-59(54)74(65(56)45-51)62-27-8-13-32-69(62)78-70-33-14-9-28-63(70)74/h1-45H
InChIKeyJBNMRYGXSMMQKP-UHFFFAOYSA-N
XLogP19.33
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.18
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477752
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
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-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 138476993) is N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1cc(-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc(N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is JBNMRYGXSMMQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45NO3/c1-4-23-58-53(19-1)55-41-37-48(44-64(55)73(58)60-25-6-11-30-67(60)77-68-31-12-7-26-61(68)73)47-17-15-18-50(43-47)75(49-38-35-46(36-39-49)52-22-16-34-71-72(52)57-21-3-10-29-66(57)76-71)51-40-42-56-54-20-2-5-24-59(54)74(65(56)45-51)62-27-8-13-32-69(62)78-70-33-14-9-28-63(70)74/h1-45H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 996.18 g/mol, XLogP of 19.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).