N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline

C74H47NOS — CID 168793800

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H47NOS/c1-2-18-52(19-3-1)73(63-25-8-4-21-57(63)58-22-5-9-26-64(58)73)53-37-41-55(42-38-53)75(54-39-33-48(34-40-54)50-36-44-70-62(46-50)61-24-7-13-30-69(61)76-70)56-20-16-17-49(45-56)51-35-43-60-59-23-6-10-27-65(59)74(68(60)47-51)66-28-11-14-31-71(66)77-72-32-15-12-29-67(72)74/h1-47H
InChIKeyKJRKELGMODNSNN-UHFFFAOYSA-N
MW998.26 g/mol
LogP19.58
Rot. Bonds7

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline (PubChem CID 168793800) has the molecular formula C74H47NOS and a molecular weight of 998.26 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
PubChem CID168793800
Molecular FormulaC74H47NOS
Molecular Weight998.26 g/mol
Exact Mass997.34
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H47NOS/c1-2-18-52(19-3-1)73(63-25-8-4-21-57(63)58-22-5-9-26-64(58)73)53-37-41-55(42-38-53)75(54-39-33-48(34-40-54)50-36-44-70-62(46-50)61-24-7-13-30-69(61)76-70)56-20-16-17-49(45-56)51-35-43-60-59-23-6-10-27-65(59)74(68(60)47-51)66-28-11-14-31-71(66)77-72-32-15-12-29-67(72)74/h1-47H
InChIKeyKJRKELGMODNSNN-UHFFFAOYSA-N
XLogP19.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.26
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-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-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 162032569
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline (CID 168793800) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline is c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5ccc6c(c5)C5(c7ccccc7Sc7ccccc75)c5ccccc5-6)c4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline?
The InChIKey is KJRKELGMODNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NOS/c1-2-18-52(19-3-1)73(63-25-8-4-21-57(63)58-22-5-9-26-64(58)73)53-37-41-55(42-38-53)75(54-39-33-48(34-40-54)50-36-44-70-62(46-50)61-24-7-13-30-69(61)76-70)56-20-16-17-49(45-56)51-35-43-60-59-23-6-10-27-65(59)74(68(60)47-51)66-28-11-14-31-71(66)77-72-32-15-12-29-67(72)74/h1-47H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline has a molecular weight of 998.26 g/mol, XLogP of 19.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline is sourced from PubChem (CID 168793800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).