1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran

C42H28O — CID 171421142

IUPAC1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3cccc4oc5ccccc5c34)c3ccccc3c(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C42H28O/c1-2-13-29(14-3-1)30-16-10-23-36(38-24-12-26-41-42(38)39-21-8-9-25-40(39)43-41)34-19-6-7-20-35(34)37(28-27-30)33-22-11-17-31-15-4-5-18-32(31)33/h1-28H/b16-10-,23-10+,28-27+,30-16+,30-27+,36-23-,36-34+,37-28+,37-35+
InChIKeyVSOAGPCBOBZZCA-GJBOBOFTSA-N
MW548.69 g/mol
LogP12.02
Rot. Bonds3

About 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran

1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran (PubChem CID 171421142) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran.

Molecular Properties

Compound Name1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
PubChem CID171421142
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3cccc4oc5ccccc5c34)c3ccccc3c(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C42H28O/c1-2-13-29(14-3-1)30-16-10-23-36(38-24-12-26-41-42(38)39-21-8-9-25-40(39)43-41)34-19-6-7-20-35(34)37(28-27-30)33-22-11-17-31-15-4-5-18-32(31)33/h1-28H/b16-10-,23-10+,28-27+,30-16+,30-27+,36-23-,36-34+,37-28+,37-35+
InChIKeyVSOAGPCBOBZZCA-GJBOBOFTSA-N
XLogP12.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164978651
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164737117
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;hydride;molecular hydrogen
CID 163951650
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran?
The IUPAC name of 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran (CID 171421142) is 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran.
What is the SMILES notation for 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran?
The canonical SMILES for 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran is c1ccc(-c2cccc(-c3cccc4oc5ccccc5c34)c3ccccc3c(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran?
The InChIKey is VSOAGPCBOBZZCA-GJBOBOFTSA-N. The full InChI is InChI=1S/C42H28O/c1-2-13-29(14-3-1)30-16-10-23-36(38-24-12-26-41-42(38)39-21-8-9-25-40(39)43-41)34-19-6-7-20-35(34)37(28-27-30)33-22-11-17-31-15-4-5-18-32(31)33/h1-28H/b16-10-,23-10+,28-27+,30-16+,30-27+,36-23-,36-34+,37-28+,37-35+.
What are the key properties of 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran?
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran has a molecular weight of 548.69 g/mol, XLogP of 12.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran is sourced from PubChem (CID 171421142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).