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

C44H29NO — CID 177280879

IUPACN-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-30(12-3-1)32-23-25-36(26-24-32)45(39-19-10-16-33-14-6-7-17-37(33)39)40-27-28-42-44(38-18-8-9-20-41(38)46-42)43(40)35-22-21-31-13-4-5-15-34(31)29-35/h1-29H
InChIKeyUXMJIIBPOKIERY-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

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

N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177280879) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177280879
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-30(12-3-1)32-23-25-36(26-24-32)45(39-19-10-16-33-14-6-7-17-37(33)39)40-27-28-42-44(38-18-8-9-20-41(38)46-42)43(40)35-22-21-31-13-4-5-15-34(31)29-35/h1-29H
InChIKeyUXMJIIBPOKIERY-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-phenyl-1-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281615
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-(6-phenylnaphthalen-2-yl)-N,1-bis(3-phenylphenyl)dibenzofuran-2-amine
CID 177281469
N-phenanthren-9-yl-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280932
2-dibenzofuran-1-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167325982
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
1-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177280903
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N-phenanthren-9-yl-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177280873
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-[(1-naphthalen-2-yldibenzofuran-2-yl)methyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177281038

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177280879) is N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is UXMJIIBPOKIERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-11-30(12-3-1)32-23-25-36(26-24-32)45(39-19-10-16-33-14-6-7-17-37(33)39)40-27-28-42-44(38-18-8-9-20-41(38)46-42)43(40)35-22-21-31-13-4-5-15-34(31)29-35/h1-29H.
What are the key properties of N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).