N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine

C46H29NO2 — CID 167233790

IUPACN-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H
InChIKeyAECOUCDZSPJSAI-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine

N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167233790) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
PubChem CID167233790
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H
InChIKeyAECOUCDZSPJSAI-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
N-(3-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167233850
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167234931
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 121321626

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine (CID 167233790) is N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is AECOUCDZSPJSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-11-31(12-3-1)37-24-21-32(36-18-10-14-30-13-4-5-15-35(30)36)27-42(37)47(33-23-26-45-41(28-33)39-17-7-9-20-44(39)48-45)34-22-25-40-38-16-6-8-19-43(38)49-46(40)29-34/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167233790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).