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

C60H41N3O2 — CID 139393694

IUPAC3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-5-18-44(19-6-1)61(45-20-7-2-8-21-45)49-39-50(62(46-22-9-3-10-23-46)47-24-11-4-12-25-47)41-51(40-49)63(56-29-17-28-54-52-26-13-16-31-58(52)65-60(54)56)48-35-32-42(33-36-48)43-34-37-59-55(38-43)53-27-14-15-30-57(53)64-59/h1-41H
InChIKeyGFHRWLQRRVPONI-UHFFFAOYSA-N
MW836.01 g/mol
LogP17.56
Rot. Bonds10

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

3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (PubChem CID 139393694) has the molecular formula C60H41N3O2 and a molecular weight of 836.01 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
PubChem CID139393694
Molecular FormulaC60H41N3O2
Molecular Weight836.01 g/mol
Exact Mass835.32
IUPAC Name3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-5-18-44(19-6-1)61(45-20-7-2-8-21-45)49-39-50(62(46-22-9-3-10-23-46)47-24-11-4-12-25-47)41-51(40-49)63(56-29-17-28-54-52-26-13-16-31-58(52)65-60(54)56)48-35-32-42(33-36-48)43-34-37-59-55(38-43)53-27-14-15-30-57(53)64-59/h1-41H
InChIKeyGFHRWLQRRVPONI-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-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (CID 139393694) is 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The InChIKey is GFHRWLQRRVPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O2/c1-5-18-44(19-6-1)61(45-20-7-2-8-21-45)49-39-50(62(46-22-9-3-10-23-46)47-24-11-4-12-25-47)41-51(40-49)63(56-29-17-28-54-52-26-13-16-31-58(52)65-60(54)56)48-35-32-42(33-36-48)43-34-37-59-55(38-43)53-27-14-15-30-57(53)64-59/h1-41H.
What are the key properties of 3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-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-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 139393694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).