3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

C60H41N3O2 — CID 118605105

IUPAC3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H
InChIKeyYRXHWRHTXUGGAG-UHFFFAOYSA-N
MW836.01 g/mol
LogP17.56
Rot. Bonds10

About 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (PubChem CID 118605105) has the molecular formula C60H41N3O2 and a molecular weight of 836.01 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
PubChem CID118605105
Molecular FormulaC60H41N3O2
Molecular Weight836.01 g/mol
Exact Mass835.32
IUPAC Name3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H
InChIKeyYRXHWRHTXUGGAG-UHFFFAOYSA-N
XLogP17.56
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.01
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine 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

3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N,18-diphenyl-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 171050042
N,18-diphenyl-N-[4-(4-phenylphenyl)phenyl]-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 171050522
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (CID 118605105) is 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The InChIKey is YRXHWRHTXUGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O2/c1-5-18-43(19-6-1)61(44-20-7-2-8-21-44)49-38-50(40-51(39-49)63(46-24-11-4-12-25-46)48-36-37-59-56(41-48)54-27-14-15-30-57(54)64-59)62(45-22-9-3-10-23-45)47-34-32-42(33-35-47)52-28-17-29-55-53-26-13-16-31-58(53)65-60(52)55/h1-41H.
What are the key properties of 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine has a molecular weight of 836.01 g/mol, XLogP of 17.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118605105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).