N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline

C54H39NO — CID 155119908

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
SMILESCCc1ccc2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c2c1
InChIInChI=1S/C54H39NO/c1-2-37-18-19-42-12-8-14-48(52(42)36-37)43-22-20-39(21-23-43)41-26-32-46(33-27-41)55(45-30-24-40(25-31-45)38-10-4-3-5-11-38)47-34-28-44(29-35-47)49-15-9-16-51-50-13-6-7-17-53(50)56-54(49)51/h3-36H,2H2,1H3
InChIKeySDUNBHLZYHSSGZ-UHFFFAOYSA-N
MW717.91 g/mol
LogP15.44
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 155119908) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID155119908
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
SMILESCCc1ccc2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c2c1
InChIInChI=1S/C54H39NO/c1-2-37-18-19-42-12-8-14-48(52(42)36-37)43-22-20-39(21-23-43)41-26-32-46(33-27-41)55(45-30-24-40(25-31-45)38-10-4-3-5-11-38)47-34-28-44(29-35-47)49-15-9-16-51-50-13-6-7-17-53(50)56-54(49)51/h3-36H,2H2,1H3
InChIKeySDUNBHLZYHSSGZ-UHFFFAOYSA-N
XLogP15.44
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509
4-[4-(3-ethylphenanthren-9-yl)phenyl]dibenzofuran
CID 87688509
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline (CID 155119908) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline is CCc1ccc2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is SDUNBHLZYHSSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-2-37-18-19-42-12-8-14-48(52(42)36-37)43-22-20-39(21-23-43)41-26-32-46(33-27-41)55(45-30-24-40(25-31-45)38-10-4-3-5-11-38)47-34-28-44(29-35-47)49-15-9-16-51-50-13-6-7-17-53(50)56-54(49)51/h3-36H,2H2,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 717.91 g/mol, XLogP of 15.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(7-ethylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 155119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).