N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine

C50H33NO — CID 166055468

IUPACN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3cccc4oc5ccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6cccc7ccccc67)cc5c34)c2)cc1
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-17-8-18-41(32-39)45-20-10-22-49-50(45)46-33-43(29-30-48(46)52-49)51(47-21-9-16-37-14-6-7-19-44(37)47)42-27-25-36(26-28-42)40-24-23-35-13-4-5-15-38(35)31-40/h1-33H
InChIKeyXFGUSVKBKDDUNP-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine

N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 166055468) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID166055468
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(-c3cccc4oc5ccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6cccc7ccccc67)cc5c34)c2)cc1
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-17-8-18-41(32-39)45-20-10-22-49-50(45)46-33-43(29-30-48(46)52-49)51(47-21-9-16-37-14-6-7-19-44(37)47)42-27-25-36(26-28-42)40-24-23-35-13-4-5-15-38(35)31-40/h1-33H
InChIKeyXFGUSVKBKDDUNP-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,5-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 166055444
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 166055376
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-3-ylaniline
CID 176810458
5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765192
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-phenanthren-2-ylaniline
CID 176810690
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine (CID 166055468) is N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(-c3cccc4oc5ccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6cccc7ccccc67)cc5c34)c2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is XFGUSVKBKDDUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-11-34(12-3-1)39-17-8-18-41(32-39)45-20-10-22-49-50(45)46-33-43(29-30-48(46)52-49)51(47-21-9-16-37-14-6-7-19-44(37)47)42-27-25-36(26-28-42)40-24-23-35-13-4-5-15-38(35)31-40/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine?
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 166055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).