3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

C60H41N3O2 — CID 134198198

IUPAC3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5oc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-4-19-43(20-5-1)61(44-21-6-2-7-22-44)47-26-15-27-48(39-47)62(45-23-8-3-9-24-45)49-28-16-29-50(40-49)63(51-36-37-59-56(41-51)54-31-11-12-34-57(54)64-59)46-25-14-18-42(38-46)52-32-17-33-55-53-30-10-13-35-58(53)65-60(52)55/h1-41H
InChIKeyLZAVAQSXXYAUPY-UHFFFAOYSA-N
MW836.01 g/mol
LogP17.56
Rot. Bonds10

About 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine

3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (PubChem CID 134198198) has the molecular formula C60H41N3O2 and a molecular weight of 836.01 g/mol. Its IUPAC name is 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
PubChem CID134198198
Molecular FormulaC60H41N3O2
Molecular Weight836.01 g/mol
Exact Mass835.32
IUPAC Name3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5oc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C60H41N3O2/c1-4-19-43(20-5-1)61(44-21-6-2-7-22-44)47-26-15-27-48(39-47)62(45-23-8-3-9-24-45)49-28-16-29-50(40-49)63(51-36-37-59-56(41-51)54-31-11-12-34-57(54)64-59)46-25-14-18-42(38-46)52-32-17-33-55-53-30-10-13-35-58(53)65-60(52)55/h1-41H
InChIKeyLZAVAQSXXYAUPY-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

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
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
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
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
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
3-dibenzofuran-4-yl-N-(4-iodophenyl)-N-phenylaniline
CID 129273933
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
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
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
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
3-dibenzofuran-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170032090

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine (CID 134198198) is 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5cccc6c5oc5ccccc56)c4)c4ccc5oc6ccccc6c5c4)c3)c2)cc1.
What is the InChIKey of 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
The InChIKey is LZAVAQSXXYAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O2/c1-4-19-43(20-5-1)61(44-21-6-2-7-22-44)47-26-15-27-48(39-47)62(45-23-8-3-9-24-45)49-28-16-29-50(40-49)63(51-36-37-59-56(41-51)54-31-11-12-34-57(54)64-59)46-25-14-18-42(38-46)52-32-17-33-55-53-30-10-13-35-58(53)65-60(52)55/h1-41H.
What are the key properties of 3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine?
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine 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-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine is sourced from PubChem (CID 134198198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).