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

C156H92O4 — CID 159155826

IUPAC4-(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
SMILESc1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc2ccc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)c4ccc(c1)c2c34
InChIInChI=1S/2C40H24O.2C38H22O/c1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)26-16-14-25(15-17-26)30-8-4-9-31(24-30)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)31-9-4-8-30(24-31)25-14-16-26(17-15-25)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-10-35-32(7-1)34-9-4-8-31(38(34)39-35)29-16-14-26-21-28(15-13-27(26)22-29)30-19-17-25-12-11-23-5-3-6-24-18-20-33(30)37(25)36(23)24;1-2-10-27-26(9-1)28(21-22-30(27)33-12-6-13-34-31-11-3-4-14-35(31)39-38(33)34)29-19-17-25-16-15-23-7-5-8-24-18-20-32(29)37(25)36(23)24/h2*1-24H;2*1-22H
InChIKeyKJWLLTLNBNOOGL-UHFFFAOYSA-N
MW2030.45 g/mol
LogP44.91
Rot. Bonds10

About 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

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 (PubChem CID 159155826) has the molecular formula C156H92O4 and a molecular weight of 2030.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159155826
Molecular FormulaC156H92O4
Molecular Weight2030.45 g/mol
Exact Mass2028.70
IUPAC Name4-(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
SMILESc1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc2ccc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)c4ccc(c1)c2c34
InChIInChI=1S/2C40H24O.2C38H22O/c1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)26-16-14-25(15-17-26)30-8-4-9-31(24-30)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)31-9-4-8-30(24-31)25-14-16-26(17-15-25)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-10-35-32(7-1)34-9-4-8-31(38(34)39-35)29-16-14-26-21-28(15-13-27(26)22-29)30-19-17-25-12-11-23-5-3-6-24-18-20-33(30)37(25)36(23)24;1-2-10-27-26(9-1)28(21-22-30(27)33-12-6-13-34-31-11-3-4-14-35(31)39-38(33)34)29-19-17-25-16-15-23-7-5-8-24-18-20-32(29)37(25)36(23)24/h2*1-24H;2*1-22H
InChIKeyKJWLLTLNBNOOGL-UHFFFAOYSA-N
XLogP44.91
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002030.45
LogP ≤ 544.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
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
2-pyren-1-yl-6-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556403
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2)cc(-c2cccc3c2oc2ccccc23)c1.c1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)c1.c1cc2ccc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)c4ccc(c1)c2c34.
What is the InChIKey of 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?
The InChIKey is KJWLLTLNBNOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24O.2C38H22O/c1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)26-16-14-25(15-17-26)30-8-4-9-31(24-30)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-13-37-34(10-1)36-12-5-11-33(40(36)41-37)31-9-4-8-30(24-31)25-14-16-26(17-15-25)32-22-20-29-19-18-27-6-3-7-28-21-23-35(32)39(29)38(27)28;1-2-10-35-32(7-1)34-9-4-8-31(38(34)39-35)29-16-14-26-21-28(15-13-27(26)22-29)30-19-17-25-12-11-23-5-3-6-24-18-20-33(30)37(25)36(23)24;1-2-10-27-26(9-1)28(21-22-30(27)33-12-6-13-34-31-11-3-4-14-35(31)39-38(33)34)29-19-17-25-16-15-23-7-5-8-24-18-20-32(29)37(25)36(23)24/h2*1-24H;2*1-22H.
What are the key properties of 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?
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 has a molecular weight of 2030.45 g/mol, XLogP of 44.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159155826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).