9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene

C22H16O2 — CID 177453587

IUPAC9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene
SMILESC1=CC2Oc3c(c4c(c5ccccc35)OC3C=CC=CC43)C2C=C1
InChIInChI=1S/C22H16O2/c1-2-8-14-13(7-1)21-19(15-9-3-5-11-17(15)23-21)20-16-10-4-6-12-18(16)24-22(14)20/h1-12,15-18H
InChIKeyWMXHVIYGYOSZHY-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.78
Rot. Bonds

About 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene

9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene (PubChem CID 177453587) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene.

Molecular Properties

Compound Name9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene
PubChem CID177453587
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene
SMILESC1=CC2Oc3c(c4c(c5ccccc35)OC3C=CC=CC43)C2C=C1
InChIInChI=1S/C22H16O2/c1-2-8-14-13(7-1)21-19(15-9-3-5-11-17(15)23-21)20-16-10-4-6-12-18(16)24-22(14)20/h1-12,15-18H
InChIKeyWMXHVIYGYOSZHY-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene with MolForge

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Related Compounds

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CID 165170050
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CID 10756209
3-hydroxy-6b,10a-dihydro-[1]benzofuro[3,2-c]chromen-6-one
CID 89072166
(5aS,9aS)-1,3,4-trimethyl-5a,9a-dihydrodibenzofuran-2-ol
CID 57175008
9-(4-chloro-5a,9a-dihydrodibenzofuran-2-yl)carbazole
CID 156521090
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
2-phenanthren-9-yl-4-phenyl-6-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170301807
3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
CID 66828393
9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
CID 174271917
11,12b-dihydro-4aH-[1]benzofuro[3,2-b]carbazole
CID 138564668
9-phenyl-10-[4-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]anthracene
CID 141282251
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534

Frequently Asked Questions

What is the IUPAC name of 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene?
The IUPAC name of 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene (CID 177453587) is 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene.
What is the SMILES notation for 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene?
The canonical SMILES for 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene is C1=CC2Oc3c(c4c(c5ccccc35)OC3C=CC=CC43)C2C=C1.
What is the InChIKey of 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene?
The InChIKey is WMXHVIYGYOSZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c1-2-8-14-13(7-1)21-19(15-9-3-5-11-17(15)23-21)20-16-10-4-6-12-18(16)24-22(14)20/h1-12,15-18H.
What are the key properties of 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene?
9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene has a molecular weight of 312.37 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),4,6,11,13,15,20,22-nonaene is sourced from PubChem (CID 177453587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).