5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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

C44H26O3 — CID 174288377

IUPAC5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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
SMILESC1=CC2=C(c3cccc4oc5ccccc5c34)c3ccccc3C(c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)C2C=C1
InChIInChI=1S/C44H26O3/c1-3-12-28-26(10-1)40(25-20-21-36-33(24-25)44-39(47-36)23-22-38-43(44)31-15-6-8-18-35(31)46-38)27-11-2-4-13-29(27)41(28)32-16-9-19-37-42(32)30-14-5-7-17-34(30)45-37/h1-24,26,40H
InChIKeyNQEIKOIWQMBABQ-UHFFFAOYSA-N
MW602.69 g/mol
LogP12.07
Rot. Bonds2

About 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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

5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 (PubChem CID 174288377) has the molecular formula C44H26O3 and a molecular weight of 602.69 g/mol. Its IUPAC name is 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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.

Molecular Properties

Compound Name5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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
PubChem CID174288377
Molecular FormulaC44H26O3
Molecular Weight602.69 g/mol
Exact Mass602.19
IUPAC Name5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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
SMILESC1=CC2=C(c3cccc4oc5ccccc5c34)c3ccccc3C(c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)C2C=C1
InChIInChI=1S/C44H26O3/c1-3-12-28-26(10-1)40(25-20-21-36-33(24-25)44-39(47-36)23-22-38-43(44)31-15-6-8-18-35(31)46-38)27-11-2-4-13-29(27)41(28)32-16-9-19-37-42(32)30-14-5-7-17-34(30)45-37/h1-24,26,40H
InChIKeyNQEIKOIWQMBABQ-UHFFFAOYSA-N
XLogP12.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.69
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 with MolForge

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Related Compounds

2-[10-(2-phenylphenyl)-8a,9-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174292735
7-[10-(2-phenylphenyl)-4a,10-dihydroanthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167515975
9-(2,6-difluorophenyl)-10-[7-[10-(2,6-difluorophenyl)-8a,9-dihydroanthracen-9-yl]-9H-fluoren-4-yl]anthracene
CID 168784180
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163976927
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-dibenzofuran-1-ylaniline
CID 138698486
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 163645476
2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170011069
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-[4-(6-phenyldibenzofuran-1-yl)-4,4a-dihydronaphthalen-1-yl]-1,3,5-triazine
CID 170132539
2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
CID 168908516

Frequently Asked Questions

What is the IUPAC name of 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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?
The IUPAC name of 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 174288377) is 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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.
What is the SMILES notation for 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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?
The canonical SMILES for 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 is C1=CC2=C(c3cccc4oc5ccccc5c34)c3ccccc3C(c3ccc4oc5ccc6oc7ccccc7c6c5c4c3)C2C=C1.
What is the InChIKey of 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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?
The InChIKey is NQEIKOIWQMBABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O3/c1-3-12-28-26(10-1)40(25-20-21-36-33(24-25)44-39(47-36)23-22-38-43(44)31-15-6-8-18-35(31)46-38)27-11-2-4-13-29(27)41(28)32-16-9-19-37-42(32)30-14-5-7-17-34(30)45-37/h1-24,26,40H.
What are the key properties of 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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?
5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 has a molecular weight of 602.69 g/mol, XLogP of 12.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10-dibenzofuran-1-yl-8a,9-dihydroanthracen-9-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 is sourced from PubChem (CID 174288377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).