N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C66H42N2O2S — CID 167086280

IUPACN-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7c6sc6ccccc67)c5)c4)c4ccc5c(c4)oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C66H42N2O2S/c1-2-14-43(15-3-1)44-30-32-45(33-31-44)46-16-10-19-49(38-46)67(52-34-36-56-54-22-4-7-27-61(54)69-63(56)41-52)50-20-11-17-47(39-50)48-18-12-21-51(40-48)68(53-35-37-57-55-23-5-8-28-62(55)70-64(57)42-53)60-26-13-25-59-58-24-6-9-29-65(58)71-66(59)60/h1-42H
InChIKeyCERPWMUSBQENER-UHFFFAOYSA-N
MW927.14 g/mol
LogP19.79
Rot. Bonds9

About N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167086280) has the molecular formula C66H42N2O2S and a molecular weight of 927.14 g/mol. Its IUPAC name is N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167086280
Molecular FormulaC66H42N2O2S
Molecular Weight927.14 g/mol
Exact Mass926.30
IUPAC NameN-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7c6sc6ccccc67)c5)c4)c4ccc5c(c4)oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C66H42N2O2S/c1-2-14-43(15-3-1)44-30-32-45(33-31-44)46-16-10-19-49(38-46)67(52-34-36-56-54-22-4-7-27-61(54)69-63(56)41-52)50-20-11-17-47(39-50)48-18-12-21-51(40-48)68(53-35-37-57-55-23-5-8-28-62(55)70-64(57)42-53)60-26-13-25-59-58-24-6-9-29-65(58)71-66(59)60/h1-42H
InChIKeyCERPWMUSBQENER-UHFFFAOYSA-N
XLogP19.79
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.14
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-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-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494386
N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 155773114
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 167086280) is N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cccc(N(c4cccc(-c5cccc(N(c6ccc7c(c6)oc6ccccc67)c6cccc7c6sc6ccccc67)c5)c4)c4ccc5c(c4)oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is CERPWMUSBQENER-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O2S/c1-2-14-43(15-3-1)44-30-32-45(33-31-44)46-16-10-19-49(38-46)67(52-34-36-56-54-22-4-7-27-61(54)69-63(56)41-52)50-20-11-17-47(39-50)48-18-12-21-51(40-48)68(53-35-37-57-55-23-5-8-28-62(55)70-64(57)42-53)60-26-13-25-59-58-24-6-9-29-65(58)71-66(59)60/h1-42H.
What are the key properties of N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 927.14 g/mol, XLogP of 19.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167086280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).