2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine

C52H35NO — CID 174262192

IUPAC2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2c(-c3ccc(-c4cccc5ccccc45)cc3)ccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H35NO/c1-3-16-37(17-4-1)43-23-9-12-27-47(43)53(48-28-13-10-24-44(48)38-18-5-2-6-19-38)52-45(34-35-50-51(52)46-25-11-14-29-49(46)54-50)40-32-30-39(31-33-40)42-26-15-21-36-20-7-8-22-41(36)42/h1-35H
InChIKeyXUXAWPNTOGESQJ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine

2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 174262192) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID174262192
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2c(-c3ccc(-c4cccc5ccccc45)cc3)ccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H35NO/c1-3-16-37(17-4-1)43-23-9-12-27-47(43)53(48-28-13-10-24-44(48)38-18-5-2-6-19-38)52-45(34-35-50-51(52)46-25-11-14-29-49(46)54-50)40-32-30-39(31-33-40)42-26-15-21-36-20-7-8-22-41(36)42/h1-35H
InChIKeyXUXAWPNTOGESQJ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-diphenylphenyl)-N,N-dinaphthalen-1-yldibenzofuran-1-amine
CID 174262333
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 170541911
N-(4-dibenzofuran-1-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167234839
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277315
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 167324686
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 167234918

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine (CID 174262192) is 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2ccccc2-c2ccccc2)c2c(-c3ccc(-c4cccc5ccccc45)cc3)ccc3oc4ccccc4c23)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is XUXAWPNTOGESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-16-37(17-4-1)43-23-9-12-27-47(43)53(48-28-13-10-24-44(48)38-18-5-2-6-19-38)52-45(34-35-50-51(52)46-25-11-14-29-49(46)54-50)40-32-30-39(31-33-40)42-26-15-21-36-20-7-8-22-41(36)42/h1-35H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine?
2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-N,N-bis(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 174262192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).