9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine

C44H29NO — CID 166055376

IUPAC9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-29H
InChIKeyTXHHLCAWLVBEOD-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine

9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine (PubChem CID 166055376) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
PubChem CID166055376
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-29H
InChIKeyTXHHLCAWLVBEOD-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-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-9-(3-phenylphenyl)dibenzofuran-2-amine
CID 166055468
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The IUPAC name of 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine (CID 166055376) is 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The canonical SMILES for 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3oc4cccc(-c5ccc6ccccc6c5)c4c3c2)cc1.
What is the InChIKey of 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
The InChIKey is TXHHLCAWLVBEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-24-22-32(23-25-36)39-17-8-13-31-11-6-7-16-38(31)39)37-26-27-42-41(29-37)44-40(18-9-19-43(44)46-42)34-21-20-30-10-4-5-12-33(30)28-34/h1-29H.
What are the key properties of 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine?
9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-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 9-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 166055376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).