6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran

C52H30O2 — CID 176846437

IUPAC6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cc(-c4ccc5ccc6c(-c7ccc8c(c7)oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)ccc23)cc1
InChIInChI=1S/C52H30O2/c1-3-9-31(10-4-1)39-13-7-15-45-41-25-21-35(29-47(41)53-51(39)45)37-23-17-33-20-28-44-38(24-18-34-19-27-43(37)49(33)50(34)44)36-22-26-42-46-16-8-14-40(32-11-5-2-6-12-32)52(46)54-48(42)30-36/h1-30H
InChIKeyJHSAWYDJAUMIBQ-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.05
Rot. Bonds4

About 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran

6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran (PubChem CID 176846437) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran.

Molecular Properties

Compound Name6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
PubChem CID176846437
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cc(-c4ccc5ccc6c(-c7ccc8c(c7)oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)ccc23)cc1
InChIInChI=1S/C52H30O2/c1-3-9-31(10-4-1)39-13-7-15-45-41-25-21-35(29-47(41)53-51(39)45)37-23-17-33-20-28-44-38(24-18-34-19-27-43(37)49(33)50(34)44)36-22-26-42-46-16-8-14-40(32-11-5-2-6-12-32)52(46)54-48(42)30-36/h1-30H
InChIKeyJHSAWYDJAUMIBQ-UHFFFAOYSA-N
XLogP15.05
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
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
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
CID 170150566
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran?
The IUPAC name of 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran (CID 176846437) is 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran.
What is the SMILES notation for 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran?
The canonical SMILES for 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran is c1ccc(-c2cccc3c2oc2cc(-c4ccc5ccc6c(-c7ccc8c(c7)oc7c(-c9ccccc9)cccc78)ccc7ccc4c5c76)ccc23)cc1.
What is the InChIKey of 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran?
The InChIKey is JHSAWYDJAUMIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-3-9-31(10-4-1)39-13-7-15-45-41-25-21-35(29-47(41)53-51(39)45)37-23-17-33-20-28-44-38(24-18-34-19-27-43(37)49(33)50(34)44)36-22-26-42-46-16-8-14-40(32-11-5-2-6-12-32)52(46)54-48(42)30-36/h1-30H.
What are the key properties of 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran?
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran has a molecular weight of 686.81 g/mol, XLogP of 15.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran is sourced from PubChem (CID 176846437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).