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

C52H33NO2 — CID 167234579

IUPACN-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-23-51-52(46)44-19-7-9-22-49(44)55-51)41-17-10-16-37(31-41)39-27-29-50-45(32-39)43-18-6-8-21-48(43)54-50/h1-33H
InChIKeyHQVLLMCMXSLLSI-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

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

N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 167234579) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
PubChem CID167234579
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-23-51-52(46)44-19-7-9-22-49(44)55-51)41-17-10-16-37(31-41)39-27-29-50-45(32-39)43-18-6-8-21-48(43)54-50/h1-33H
InChIKeyHQVLLMCMXSLLSI-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-[4-(3,4-diphenylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167233976
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine (CID 167234579) is N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is HQVLLMCMXSLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-13-35(14-3-1)42-28-26-40(38-25-24-34-12-4-5-15-36(34)30-38)33-47(42)53(46-20-11-23-51-52(46)44-19-7-9-22-49(44)55-51)41-17-10-16-37(31-41)39-27-29-50-45(32-39)43-18-6-8-21-48(43)54-50/h1-33H.
What are the key properties of N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 167234579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).