6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran

C40H24O — CID 170150572

IUPAC6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
SMILESc1ccc(-c2cc3ccc4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C40H24O/c1-3-8-25(9-4-1)31-22-29-15-14-27-16-19-32(34-20-17-30(23-31)38(29)39(27)34)28-18-21-37-36(24-28)35-13-7-12-33(40(35)41-37)26-10-5-2-6-11-26/h1-24H
InChIKeyCOYFFJKWBSTPPB-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.48
Rot. Bonds3

About 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran

6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran (PubChem CID 170150572) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran.

Molecular Properties

Compound Name6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
PubChem CID170150572
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
SMILESc1ccc(-c2cc3ccc4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)c5ccc(c2)c3c45)cc1
InChIInChI=1S/C40H24O/c1-3-8-25(9-4-1)31-22-29-15-14-27-16-19-32(34-20-17-30(23-31)38(29)39(27)34)28-18-21-37-36(24-28)35-13-7-12-33(40(35)41-37)26-10-5-2-6-11-26/h1-24H
InChIKeyCOYFFJKWBSTPPB-UHFFFAOYSA-N
XLogP11.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 511.48
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

2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
2-(7-tert-butylpyren-1-yl)-6-[8-(7-tert-butylpyren-1-yl)dibenzofuran-2-yl]dibenzofuran
CID 58556362
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
2-[7-[4-(6-dibenzofuran-4-yl-8-naphthalen-1-ylpyren-1-yl)dibenzofuran-2-yl]pyren-1-yl]-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 170104818
1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
CID 170150566

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran?
The IUPAC name of 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran (CID 170150572) is 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran.
What is the SMILES notation for 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran?
The canonical SMILES for 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran is c1ccc(-c2cc3ccc4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)c5ccc(c2)c3c45)cc1.
What is the InChIKey of 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran?
The InChIKey is COYFFJKWBSTPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-3-8-25(9-4-1)31-22-29-15-14-27-16-19-32(34-20-17-30(23-31)38(29)39(27)34)28-18-21-37-36(24-28)35-13-7-12-33(40(35)41-37)26-10-5-2-6-11-26/h1-24H.
What are the key properties of 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran?
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran has a molecular weight of 520.63 g/mol, XLogP of 11.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran is sourced from PubChem (CID 170150572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).