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

C232H132O8 — CID 160824717

IUPAC2-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
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4cccc5c(-c6ccc7oc8ccccc8c7c6)cccc45)c4ccc(c1)c2c34.c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c21
InChIInChI=1S/2C40H22O2.4C38H22O/c1-3-10-34-29(8-1)33-22-26(16-21-36(33)41-34)27-19-20-31(39-32-9-2-4-11-35(32)42-40(27)39)28-17-14-25-13-12-23-6-5-7-24-15-18-30(28)38(25)37(23)24;1-2-7-35-30(6-1)32-20-26(12-17-36(32)41-35)27-13-18-37-33(21-27)34-22-28(14-19-38(34)42-37)29-15-10-25-9-8-23-4-3-5-24-11-16-31(29)40(25)39(23)24;1-2-13-35-32(8-1)34-22-26(18-21-36(34)39-35)27-9-4-11-29-28(27)10-5-12-30(29)31-19-16-25-15-14-23-6-3-7-24-17-20-33(31)38(25)37(23)24;1-2-7-27-22-35-33(21-26(27)6-1)38-31(12-5-13-34(38)39-35)29-11-4-10-28(20-29)30-18-16-25-15-14-23-8-3-9-24-17-19-32(30)37(25)36(23)24;1-2-8-31-23(5-1)17-22-33-37-30(9-4-10-34(37)39-38(31)33)25-13-11-24(12-14-25)29-20-18-28-16-15-26-6-3-7-27-19-21-32(29)36(28)35(26)27;1-2-9-29-28(8-1)27(26-16-21-36-34(22-26)32-10-3-4-11-35(32)39-36)19-20-30(29)31-17-14-25-13-12-23-6-5-7-24-15-18-33(31)38(25)37(23)24/h2*1-22H;4*1-22H
InChIKeySFZUGBYGQDTCLP-UHFFFAOYSA-N
MW3047.60 g/mol
LogP67.32
Rot. Bonds12

About 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

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 (PubChem CID 160824717) has the molecular formula C232H132O8 and a molecular weight of 3047.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID160824717
Molecular FormulaC232H132O8
Molecular Weight3047.60 g/mol
Exact Mass3044.99
IUPAC Name2-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
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4cccc5c(-c6ccc7oc8ccccc8c7c6)cccc45)c4ccc(c1)c2c34.c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c21
InChIInChI=1S/2C40H22O2.4C38H22O/c1-3-10-34-29(8-1)33-22-26(16-21-36(33)41-34)27-19-20-31(39-32-9-2-4-11-35(32)42-40(27)39)28-17-14-25-13-12-23-6-5-7-24-15-18-30(28)38(25)37(23)24;1-2-7-35-30(6-1)32-20-26(12-17-36(32)41-35)27-13-18-37-33(21-27)34-22-28(14-19-38(34)42-37)29-15-10-25-9-8-23-4-3-5-24-11-16-31(29)40(25)39(23)24;1-2-13-35-32(8-1)34-22-26(18-21-36(34)39-35)27-9-4-11-29-28(27)10-5-12-30(29)31-19-16-25-15-14-23-6-3-7-24-17-20-33(31)38(25)37(23)24;1-2-7-27-22-35-33(21-26(27)6-1)38-31(12-5-13-34(38)39-35)29-11-4-10-28(20-29)30-18-16-25-15-14-23-8-3-9-24-17-19-32(30)37(25)36(23)24;1-2-8-31-23(5-1)17-22-33-37-30(9-4-10-34(37)39-38(31)33)25-13-11-24(12-14-25)29-20-18-28-16-15-26-6-3-7-27-19-21-32(29)36(28)35(26)27;1-2-9-29-28(8-1)27(26-16-21-36-34(22-26)32-10-3-4-11-35(32)39-36)19-20-30(29)31-17-14-25-13-12-23-6-5-7-24-15-18-33(31)38(25)37(23)24/h2*1-22H;4*1-22H
InChIKeySFZUGBYGQDTCLP-UHFFFAOYSA-N
XLogP67.32
TPSA105.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003047.60
LogP ≤ 567.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170939967
1-phenyl-8-pyren-1-yldibenzofuran
CID 170658138
4-naphthalen-2-yl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 174168113
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-benzo[g]phenanthren-3-yl-1-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940016
2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 139341196
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
2-(8-naphthalen-2-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170150575
2-dibenzofuran-1-yl-4-[3-[8-[6-[1-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-8-phenanthren-2-yldibenzofuran-4-yl]phenanthren-2-yl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155470913
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2cccc3oc4cc5ccccc5cc4c23)c1.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4ccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c5c4)c4ccc(c1)c2c34.c1cc2ccc3ccc(-c4cccc5c(-c6ccc7oc8ccccc8c7c6)cccc45)c4ccc(c1)c2c34.c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)c21.
What is the InChIKey of 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?
The InChIKey is SFZUGBYGQDTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H22O2.4C38H22O/c1-3-10-34-29(8-1)33-22-26(16-21-36(33)41-34)27-19-20-31(39-32-9-2-4-11-35(32)42-40(27)39)28-17-14-25-13-12-23-6-5-7-24-15-18-30(28)38(25)37(23)24;1-2-7-35-30(6-1)32-20-26(12-17-36(32)41-35)27-13-18-37-33(21-27)34-22-28(14-19-38(34)42-37)29-15-10-25-9-8-23-4-3-5-24-11-16-31(29)40(25)39(23)24;1-2-13-35-32(8-1)34-22-26(18-21-36(34)39-35)27-9-4-11-29-28(27)10-5-12-30(29)31-19-16-25-15-14-23-6-3-7-24-17-20-33(31)38(25)37(23)24;1-2-7-27-22-35-33(21-26(27)6-1)38-31(12-5-13-34(38)39-35)29-11-4-10-28(20-29)30-18-16-25-15-14-23-8-3-9-24-17-19-32(30)37(25)36(23)24;1-2-8-31-23(5-1)17-22-33-37-30(9-4-10-34(37)39-38(31)33)25-13-11-24(12-14-25)29-20-18-28-16-15-26-6-3-7-27-19-21-32(29)36(28)35(26)27;1-2-9-29-28(8-1)27(26-16-21-36-34(22-26)32-10-3-4-11-35(32)39-36)19-20-30(29)31-17-14-25-13-12-23-6-5-7-24-15-18-33(31)38(25)37(23)24/h2*1-22H;4*1-22H.
What are the key properties of 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?
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 has a molecular weight of 3047.60 g/mol, XLogP of 67.32, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160824717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).