7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

C46H24O4 — CID 149458315

IUPAC7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c6cc5cc34)cccc12
InChIInChI=1S/C46H24O4/c1-3-13-39-31(7-1)35-11-5-9-29(45(35)49-39)25-15-17-33-37-19-27-20-38-34-18-16-26(30-10-6-12-36-32-8-2-4-14-40(32)50-46(30)36)22-42(34)48-44(38)24-28(27)23-43(37)47-41(33)21-25/h1-24H
InChIKeyYYZXDLGCTHOWAI-UHFFFAOYSA-N
MW640.69 g/mol
LogP13.77
Rot. Bonds2

About 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (PubChem CID 149458315) has the molecular formula C46H24O4 and a molecular weight of 640.69 g/mol. Its IUPAC name is 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
PubChem CID149458315
Molecular FormulaC46H24O4
Molecular Weight640.69 g/mol
Exact Mass640.17
IUPAC Name7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c6cc5cc34)cccc12
InChIInChI=1S/C46H24O4/c1-3-13-39-31(7-1)35-11-5-9-29(45(35)49-39)25-15-17-33-37-19-27-20-38-34-18-16-26(30-10-6-12-36-32-8-2-4-14-40(32)50-46(30)36)22-42(34)48-44(38)24-28(27)23-43(37)47-41(33)21-25/h1-24H
InChIKeyYYZXDLGCTHOWAI-UHFFFAOYSA-N
XLogP13.77
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene with MolForge

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Related Compounds

6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 135208580
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-dibenzofuran-3-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146431709
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192137
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798

Frequently Asked Questions

What is the IUPAC name of 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The IUPAC name of 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (CID 149458315) is 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The canonical SMILES for 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is c1ccc2c(c1)oc1c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c6cc5cc34)cccc12.
What is the InChIKey of 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The InChIKey is YYZXDLGCTHOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24O4/c1-3-13-39-31(7-1)35-11-5-9-29(45(35)49-39)25-15-17-33-37-19-27-20-38-34-18-16-26(30-10-6-12-36-32-8-2-4-14-40(32)50-46(30)36)22-42(34)48-44(38)24-28(27)23-43(37)47-41(33)21-25/h1-24H.
What are the key properties of 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene has a molecular weight of 640.69 g/mol, XLogP of 13.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 149458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).