N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline

C70H49NS2 — CID 166678979

IUPACN-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2Sc2ccc(-c3cccc(N(c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21
InChIInChI=1S/C70H49NS2/c1-69(2)63-36-11-13-38-66(63)72-67-40-39-49(45-64(67)69)48-21-16-27-54(43-48)71(55-28-17-22-50(44-55)56-32-18-33-60-59-31-8-12-37-65(59)73-68(56)60)53-26-15-20-47(42-53)46-19-14-25-52(41-46)70(51-23-4-3-5-24-51)61-34-9-6-29-57(61)58-30-7-10-35-62(58)70/h3-45H,1-2H3
InChIKeyDVJWHPOPGXOVEG-UHFFFAOYSA-N
MW968.30 g/mol
LogP19.68
Rot. Bonds8

About N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline

N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 166678979) has the molecular formula C70H49NS2 and a molecular weight of 968.30 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID166678979
Molecular FormulaC70H49NS2
Molecular Weight968.30 g/mol
Exact Mass967.33
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2Sc2ccc(-c3cccc(N(c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21
InChIInChI=1S/C70H49NS2/c1-69(2)63-36-11-13-38-66(63)72-67-40-39-49(45-64(67)69)48-21-16-27-54(43-48)71(55-28-17-22-50(44-55)56-32-18-33-60-59-31-8-12-37-65(59)73-68(56)60)53-26-15-20-47(42-53)46-19-14-25-52(41-46)70(51-23-4-3-5-24-51)61-34-9-6-29-57(61)58-30-7-10-35-62(58)70/h3-45H,1-2H3
InChIKeyDVJWHPOPGXOVEG-UHFFFAOYSA-N
XLogP19.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.30
LogP ≤ 519.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline 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-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(2-phenylphenyl)aniline
CID 121381502
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 118298289
N-[3-(9,9-dimethylthioxanthen-3-yl)phenyl]-N-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 166679241
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline
CID 121391749
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline (CID 166678979) is N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline is CC1(C)c2ccccc2Sc2ccc(-c3cccc(N(c4cccc(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)c4)c4cccc(-c5cccc6c5sc5ccccc56)c4)c3)cc21.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is DVJWHPOPGXOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H49NS2/c1-69(2)63-36-11-13-38-66(63)72-67-40-39-49(45-64(67)69)48-21-16-27-54(43-48)71(55-28-17-22-50(44-55)56-32-18-33-60-59-31-8-12-37-65(59)73-68(56)60)53-26-15-20-47(42-53)46-19-14-25-52(41-46)70(51-23-4-3-5-24-51)61-34-9-6-29-57(61)58-30-7-10-35-62(58)70/h3-45H,1-2H3.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 968.30 g/mol, XLogP of 19.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9,9-dimethylthioxanthen-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 166678979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).