N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline

C67H45NOS — CID 148653101

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C67H45NOS/c1-4-19-51(20-5-1)67(52-21-6-2-7-22-52,53-23-8-3-9-24-53)54-38-33-46(34-39-54)48-17-14-25-56(43-48)68(55-40-35-47(36-41-55)58-29-16-30-61-60-28-11-13-32-65(60)70-66(58)61)57-26-15-18-49(44-57)50-37-42-64-62(45-50)59-27-10-12-31-63(59)69-64/h1-45H
InChIKeyNMHHVTHWTVHVLY-UHFFFAOYSA-N
MW912.17 g/mol
LogP18.81
Rot. Bonds10

About N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline

N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline (PubChem CID 148653101) has the molecular formula C67H45NOS and a molecular weight of 912.17 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
PubChem CID148653101
Molecular FormulaC67H45NOS
Molecular Weight912.17 g/mol
Exact Mass911.32
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)cc2)cc1
InChIInChI=1S/C67H45NOS/c1-4-19-51(20-5-1)67(52-21-6-2-7-22-52,53-23-8-3-9-24-53)54-38-33-46(34-39-54)48-17-14-25-56(43-48)68(55-40-35-47(36-41-55)58-29-16-30-61-60-28-11-13-32-65(60)70-66(58)61)57-26-15-18-49(44-57)50-37-42-64-62(45-50)59-27-10-12-31-63(59)69-64/h1-45H
InChIKeyNMHHVTHWTVHVLY-UHFFFAOYSA-N
XLogP18.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.17
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)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-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
CID 158769346
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline (CID 148653101) is N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c3)cc2)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline?
The InChIKey is NMHHVTHWTVHVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NOS/c1-4-19-51(20-5-1)67(52-21-6-2-7-22-52,53-23-8-3-9-24-53)54-38-33-46(34-39-54)48-17-14-25-56(43-48)68(55-40-35-47(36-41-55)58-29-16-30-61-60-28-11-13-32-65(60)70-66(58)61)57-26-15-18-49(44-57)50-37-42-64-62(45-50)59-27-10-12-31-63(59)69-64/h1-45H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline?
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline has a molecular weight of 912.17 g/mol, XLogP of 18.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline is sourced from PubChem (CID 148653101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).