N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline

C47H31NO — CID 172539696

IUPACN,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C47H31NO/c1-3-15-36(16-4-1)48(37-17-5-2-6-18-37)38-26-23-32(24-27-38)35-25-28-42-40(29-35)39-19-9-10-20-41(39)47(42)43-21-11-12-22-45(43)49-46-31-34-14-8-7-13-33(34)30-44(46)47/h1-31H
InChIKeyWCAFHHPRDXQVHL-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.45
Rot. Bonds4

About N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline

N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline (PubChem CID 172539696) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline.

Molecular Properties

Compound NameN,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
PubChem CID172539696
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC NameN,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C47H31NO/c1-3-15-36(16-4-1)48(37-17-5-2-6-18-37)38-26-23-32(24-27-38)35-25-28-42-40(29-35)39-19-9-10-20-41(39)47(42)43-21-11-12-22-45(43)49-46-31-34-14-8-7-13-33(34)30-44(46)47/h1-31H
InChIKeyWCAFHHPRDXQVHL-UHFFFAOYSA-N
XLogP12.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline 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-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476345
N-[4-(3-phenylphenyl)phenyl]-3-spiro[fluorene-9,9'-xanthene]-3-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138476230
N-naphtho[2,3-b][1]benzothiol-3-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 169305220
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline?
The IUPAC name of N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline (CID 172539696) is N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline.
What is the SMILES notation for N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline?
The canonical SMILES for N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Oc4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline?
The InChIKey is WCAFHHPRDXQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-3-15-36(16-4-1)48(37-17-5-2-6-18-37)38-26-23-32(24-27-38)35-25-28-42-40(29-35)39-19-9-10-20-41(39)47(42)43-21-11-12-22-45(43)49-46-31-34-14-8-7-13-33(34)30-44(46)47/h1-31H.
What are the key properties of N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline?
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline has a molecular weight of 625.77 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline is sourced from PubChem (CID 172539696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).