N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine

C54H35NO — CID 166589590

IUPACN-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5oc5ccccc56)c34)cc2)c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-2-18-39(19-3-1)55(51-35-34-45(44-21-6-7-22-46(44)51)43-25-10-15-36-14-4-5-20-41(36)43)40-32-30-37(31-33-40)42-24-11-16-38-17-12-26-48(53(38)42)50-28-13-27-49-47-23-8-9-29-52(47)56-54(49)50/h1-35H
InChIKeyPAHWRRMARHPQQF-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine

N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine (PubChem CID 166589590) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
PubChem CID166589590
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5oc5ccccc56)c34)cc2)c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C54H35NO/c1-2-18-39(19-3-1)55(51-35-34-45(44-21-6-7-22-46(44)51)43-25-10-15-36-14-4-5-20-41(36)43)40-32-30-37(31-33-40)42-24-11-16-38-17-12-26-48(53(38)42)50-28-13-27-49-47-23-8-9-29-52(47)56-54(49)50/h1-35H
InChIKeyPAHWRRMARHPQQF-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine (CID 166589590) is N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cccc4cccc(-c5cccc6c5oc5ccccc56)c34)cc2)c2ccc(-c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine?
The InChIKey is PAHWRRMARHPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-18-39(19-3-1)55(51-35-34-45(44-21-6-7-22-46(44)51)43-25-10-15-36-14-4-5-20-41(36)43)40-32-30-37(31-33-40)42-24-11-16-38-17-12-26-48(53(38)42)50-28-13-27-49-47-23-8-9-29-52(47)56-54(49)50/h1-35H.
What are the key properties of N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine?
N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 166589590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).