N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline

C60H39NO2 — CID 168805047

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-11-40(12-4-1)41-21-23-42(24-22-41)43-25-32-48(33-26-43)61(50-36-29-46(30-37-50)51-16-10-20-58-59(51)54-15-7-8-19-56(54)62-58)49-34-27-44(28-35-49)47-31-38-57-55(39-47)53-18-9-17-52(60(53)63-57)45-13-5-2-6-14-45/h1-39H
InChIKeyVUQHJTOQPOLQBN-UHFFFAOYSA-N
MW805.98 g/mol
LogP17.29
Rot. Bonds8

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 168805047) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID168805047
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H39NO2/c1-3-11-40(12-4-1)41-21-23-42(24-22-41)43-25-32-48(33-26-43)61(50-36-29-46(30-37-50)51-16-10-20-58-59(51)54-15-7-8-19-56(54)62-58)49-34-27-44(28-35-49)47-31-38-57-55(39-47)53-18-9-17-52(60(53)63-57)45-13-5-2-6-14-45/h1-39H
InChIKeyVUQHJTOQPOLQBN-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine;4-dibenzofuran-1-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 167649137
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 168805047) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is VUQHJTOQPOLQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-3-11-40(12-4-1)41-21-23-42(24-22-41)43-25-32-48(33-26-43)61(50-36-29-46(30-37-50)51-16-10-20-58-59(51)54-15-7-8-19-56(54)62-58)49-34-27-44(28-35-49)47-31-38-57-55(39-47)53-18-9-17-52(60(53)63-57)45-13-5-2-6-14-45/h1-39H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 805.98 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 168805047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).