4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

C60H41NO2 — CID 121321591

IUPAC4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
SMILESC1=CC2Oc3ccccc3C2C=C1c1ccc(N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H41NO2/c1-3-12-40(13-4-1)46-36-47(41-14-5-2-6-15-41)38-48(37-46)43-24-31-50(32-25-43)61(49-29-22-42(23-30-49)45-28-35-59-56(39-45)54-17-8-9-20-57(54)62-59)51-33-26-44(27-34-51)52-18-11-19-55-53-16-7-10-21-58(53)63-60(52)55/h1-39,56,59H
InChIKeyCSIGUNVJGIDLDQ-UHFFFAOYSA-N
MW807.99 g/mol
LogP16.22
Rot. Bonds8

About 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline

4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (PubChem CID 121321591) has the molecular formula C60H41NO2 and a molecular weight of 807.99 g/mol. Its IUPAC name is 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
PubChem CID121321591
Molecular FormulaC60H41NO2
Molecular Weight807.99 g/mol
Exact Mass807.31
IUPAC Name4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
SMILESC1=CC2Oc3ccccc3C2C=C1c1ccc(N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H41NO2/c1-3-12-40(13-4-1)46-36-47(41-14-5-2-6-15-41)38-48(37-46)43-24-31-50(32-25-43)61(49-29-22-42(23-30-49)45-28-35-59-56(39-45)54-17-8-9-20-57(54)62-59)51-33-26-44(27-34-51)52-18-11-19-55-53-16-7-10-21-58(53)63-60(52)55/h1-39,56,59H
InChIKeyCSIGUNVJGIDLDQ-UHFFFAOYSA-N
XLogP16.22
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
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,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
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
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
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230

Frequently Asked Questions

What is the IUPAC name of 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The IUPAC name of 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline (CID 121321591) is 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is C1=CC2Oc3ccccc3C2C=C1c1ccc(N(c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
The InChIKey is CSIGUNVJGIDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO2/c1-3-12-40(13-4-1)46-36-47(41-14-5-2-6-15-41)38-48(37-46)43-24-31-50(32-25-43)61(49-29-22-42(23-30-49)45-28-35-59-56(39-45)54-17-8-9-20-57(54)62-59)51-33-26-44(27-34-51)52-18-11-19-55-53-16-7-10-21-58(53)63-60(52)55/h1-39,56,59H.
What are the key properties of 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline?
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline has a molecular weight of 807.99 g/mol, XLogP of 16.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline is sourced from PubChem (CID 121321591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).