N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine

C42H27NO — CID 176588089

IUPACN-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4ccc(-c5cccc6ccccc56)cc34)ccc2c1
InChIInChI=1S/C42H27NO/c1-2-11-31-25-33(22-21-28(31)9-1)43(34-23-24-42-39(27-34)37-15-5-6-18-41(37)44-42)40-17-8-13-30-19-20-32(26-38(30)40)36-16-7-12-29-10-3-4-14-35(29)36/h1-27H
InChIKeyNNMUMWBCOJZJQC-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine

N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine (PubChem CID 176588089) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
PubChem CID176588089
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine
SMILESc1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4ccc(-c5cccc6ccccc56)cc34)ccc2c1
InChIInChI=1S/C42H27NO/c1-2-11-31-25-33(22-21-28(31)9-1)43(34-23-24-42-39(27-34)37-15-5-6-18-41(37)44-42)40-17-8-13-30-19-20-32(26-38(30)40)36-16-7-12-29-10-3-4-14-35(29)36/h1-27H
InChIKeyNNMUMWBCOJZJQC-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-naphthalen-2-yldibenzofuran-4-amine
CID 129085297
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine (CID 176588089) is N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine is c1ccc2cc(N(c3ccc4oc5ccccc5c4c3)c3cccc4ccc(-c5cccc6ccccc56)cc34)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine?
The InChIKey is NNMUMWBCOJZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-2-11-31-25-33(22-21-28(31)9-1)43(34-23-24-42-39(27-34)37-15-5-6-18-41(37)44-42)40-17-8-13-30-19-20-32(26-38(30)40)36-16-7-12-29-10-3-4-14-35(29)36/h1-27H.
What are the key properties of N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine?
N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-(7-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176588089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).