N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

C52H35NO — CID 154605702

IUPACN-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2)cc1
InChIInChI=1S/C52H35NO/c1-3-12-36(13-4-1)40-22-24-43-35-41(23-25-42(43)34-40)37-26-30-44(31-27-37)53(49-19-11-21-51-52(49)48-18-9-10-20-50(48)54-51)45-32-28-39(29-33-45)47-17-8-7-16-46(47)38-14-5-2-6-15-38/h1-35H
InChIKeyGHXHJVNDTGXWAP-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine

N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 154605702) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID154605702
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2)cc1
InChIInChI=1S/C52H35NO/c1-3-12-36(13-4-1)40-22-24-43-35-41(23-25-42(43)34-40)37-26-30-44(31-27-37)53(49-19-11-21-51-52(49)48-18-9-10-20-50(48)54-51)45-32-28-39(29-33-45)47-17-8-7-16-46(47)38-14-5-2-6-15-38/h1-35H
InChIKeyGHXHJVNDTGXWAP-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 154605702) is N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3cc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6)cc5)c5cccc6oc7ccccc7c56)cc4)ccc3c2)cc1.
What is the InChIKey of N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is GHXHJVNDTGXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-12-36(13-4-1)40-22-24-43-35-41(23-25-42(43)34-40)37-26-30-44(31-27-37)53(49-19-11-21-51-52(49)48-18-9-10-20-50(48)54-51)45-32-28-39(29-33-45)47-17-8-7-16-46(47)38-14-5-2-6-15-38/h1-35H.
What are the key properties of N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 154605702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).