4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline

C60H37NO3 — CID 164835596

IUPAC4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)c1
InChIInChI=1S/C60H37NO3/c1-2-12-46(41-29-36-50-49-13-3-6-18-53(49)64-58(50)37-41)45(11-1)38-23-30-42(31-24-38)61(43-32-25-39(26-33-43)47-16-9-21-56-59(47)51-14-4-7-19-54(51)62-56)44-34-27-40(28-35-44)48-17-10-22-57-60(48)52-15-5-8-20-55(52)63-57/h1-37H
InChIKeyDLGGCRUJFYMXAT-UHFFFAOYSA-N
MW819.96 g/mol
LogP17.52
Rot. Bonds7

About 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline

4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline (PubChem CID 164835596) has the molecular formula C60H37NO3 and a molecular weight of 819.96 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
PubChem CID164835596
Molecular FormulaC60H37NO3
Molecular Weight819.96 g/mol
Exact Mass819.28
IUPAC Name4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)c1
InChIInChI=1S/C60H37NO3/c1-2-12-46(41-29-36-50-49-13-3-6-18-53(49)64-58(50)37-41)45(11-1)38-23-30-42(31-24-38)61(43-32-25-39(26-33-43)47-16-9-21-56-59(47)51-14-4-7-19-54(51)62-56)44-34-27-40(28-35-44)48-17-10-22-57-60(48)52-15-5-8-20-55(52)63-57/h1-37H
InChIKeyDLGGCRUJFYMXAT-UHFFFAOYSA-N
XLogP17.52
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.96
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324538
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
4-dibenzofuran-1-yl-N-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)aniline;4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-(3-dibenzofuran-3-ylphenyl)-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline
CID 167662502
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
N-(4-dibenzofuran-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline?
The IUPAC name of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline (CID 164835596) is 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline is c1ccc(-c2ccc3c(c2)oc2ccccc23)c(-c2ccc(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc2)c1.
What is the InChIKey of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline?
The InChIKey is DLGGCRUJFYMXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO3/c1-2-12-46(41-29-36-50-49-13-3-6-18-53(49)64-58(50)37-41)45(11-1)38-23-30-42(31-24-38)61(43-32-25-39(26-33-43)47-16-9-21-56-59(47)51-14-4-7-19-54(51)62-56)44-34-27-40(28-35-44)48-17-10-22-57-60(48)52-15-5-8-20-55(52)63-57/h1-37H.
What are the key properties of 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline?
4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline has a molecular weight of 819.96 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]aniline is sourced from PubChem (CID 164835596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).