1-phenyl-8-pyren-1-yldibenzofuran

C34H20O — CID 170658138

IUPAC1-phenyl-8-pyren-1-yldibenzofuran
SMILESc1ccc(-c2cccc3oc4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c23)cc1
InChIInChI=1S/C34H20O/c1-2-6-21(7-3-1)27-10-5-11-31-34(27)29-20-25(16-19-30(29)35-31)26-17-14-24-13-12-22-8-4-9-23-15-18-28(26)33(24)32(22)23/h1-20H
InChIKeyUDQSIEHUTMWHIU-UHFFFAOYSA-N
MW444.53 g/mol
LogP9.82
Rot. Bonds2

About 1-phenyl-8-pyren-1-yldibenzofuran

1-phenyl-8-pyren-1-yldibenzofuran (PubChem CID 170658138) has the molecular formula C34H20O and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-phenyl-8-pyren-1-yldibenzofuran.

Molecular Properties

Compound Name1-phenyl-8-pyren-1-yldibenzofuran
PubChem CID170658138
Molecular FormulaC34H20O
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name1-phenyl-8-pyren-1-yldibenzofuran
SMILESc1ccc(-c2cccc3oc4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c23)cc1
InChIInChI=1S/C34H20O/c1-2-6-21(7-3-1)27-10-5-11-31-34(27)29-20-25(16-19-30(29)35-31)26-17-14-24-13-12-22-8-4-9-23-15-18-28(26)33(24)32(22)23/h1-20H
InChIKeyUDQSIEHUTMWHIU-UHFFFAOYSA-N
XLogP9.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 59.82
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

8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-[3-pyren-1-yl-2-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303206
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931
2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
2-dibenzofuran-2-yl-8-pyren-1-yldibenzofuran;4-dibenzofuran-2-yl-1-pyren-1-yldibenzofuran;2-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;2-(5-pyren-1-ylnaphthalen-1-yl)dibenzofuran;1-(3-pyren-1-ylphenyl)naphtho[2,3-b][1]benzofuran;7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 160824717
2,6-diphenyl-4-(8-pyren-2-yldibenzofuran-1-yl)pyridine
CID 142515561
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
2-phenyl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 170658120

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-pyren-1-yldibenzofuran?
The IUPAC name of 1-phenyl-8-pyren-1-yldibenzofuran (CID 170658138) is 1-phenyl-8-pyren-1-yldibenzofuran.
What is the SMILES notation for 1-phenyl-8-pyren-1-yldibenzofuran?
The canonical SMILES for 1-phenyl-8-pyren-1-yldibenzofuran is c1ccc(-c2cccc3oc4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4c23)cc1.
What is the InChIKey of 1-phenyl-8-pyren-1-yldibenzofuran?
The InChIKey is UDQSIEHUTMWHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20O/c1-2-6-21(7-3-1)27-10-5-11-31-34(27)29-20-25(16-19-30(29)35-31)26-17-14-24-13-12-22-8-4-9-23-15-18-28(26)33(24)32(22)23/h1-20H.
What are the key properties of 1-phenyl-8-pyren-1-yldibenzofuran?
1-phenyl-8-pyren-1-yldibenzofuran has a molecular weight of 444.53 g/mol, XLogP of 9.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-pyren-1-yldibenzofuran is sourced from PubChem (CID 170658138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).