1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran

C44H26O — CID 170658024

IUPAC1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)c7ccc4c5c67)c23)cc1
InChIInChI=1S/C44H26O/c1-2-9-28(10-3-1)32-14-7-17-39-43-36(16-8-18-40(43)45-44(32)39)35-24-22-30-20-19-29-21-23-34(37-25-26-38(35)42(30)41(29)37)33-15-6-12-27-11-4-5-13-31(27)33/h1-26H
InChIKeyZYUOKRWLDGUYKL-UHFFFAOYSA-N
MW570.69 g/mol
LogP12.64
Rot. Bonds3

About 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran

1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran (PubChem CID 170658024) has the molecular formula C44H26O and a molecular weight of 570.69 g/mol. Its IUPAC name is 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran.

Molecular Properties

Compound Name1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
PubChem CID170658024
Molecular FormulaC44H26O
Molecular Weight570.69 g/mol
Exact Mass570.20
IUPAC Name1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)c7ccc4c5c67)c23)cc1
InChIInChI=1S/C44H26O/c1-2-9-28(10-3-1)32-14-7-17-39-43-36(16-8-18-40(43)45-44(32)39)35-24-22-30-20-19-29-21-23-34(37-25-26-38(35)42(30)41(29)37)33-15-6-12-27-11-4-5-13-31(27)33/h1-26H
InChIKeyZYUOKRWLDGUYKL-UHFFFAOYSA-N
XLogP12.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
CID 170150566
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
7-(6-phenylpyren-1-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171575655
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
9-(4-naphthalen-1-ylphenyl)-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940142
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
1,6-diphenyldibenzofuran
CID 145331756
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398

Frequently Asked Questions

What is the IUPAC name of 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran?
The IUPAC name of 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran (CID 170658024) is 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran.
What is the SMILES notation for 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran?
The canonical SMILES for 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran is c1ccc(-c2cccc3c2oc2cccc(-c4ccc5ccc6ccc(-c7cccc8ccccc78)c7ccc4c5c67)c23)cc1.
What is the InChIKey of 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran?
The InChIKey is ZYUOKRWLDGUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O/c1-2-9-28(10-3-1)32-14-7-17-39-43-36(16-8-18-40(43)45-44(32)39)35-24-22-30-20-19-29-21-23-34(37-25-26-38(35)42(30)41(29)37)33-15-6-12-27-11-4-5-13-31(27)33/h1-26H.
What are the key properties of 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran?
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran has a molecular weight of 570.69 g/mol, XLogP of 12.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran is sourced from PubChem (CID 170658024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).