6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

C41H24O3 — CID 170212397

IUPAC6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESCc1oc2ccccc2c1-c1c2ccccc2c(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)c2ccccc12
InChIInChI=1S/C41H24O3/c1-23-39(30-15-7-9-17-35(30)42-23)41-28-13-4-2-11-26(28)40(27-12-3-5-14-29(27)41)24-18-19-36-31(20-24)33-21-32-25-10-6-8-16-34(25)43-37(32)22-38(33)44-36/h2-22H,1H3
InChIKeyCSOWCMXBFYMQPZ-UHFFFAOYSA-N
MW564.64 g/mol
LogP12.18
Rot. Bonds2

About 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene

6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (PubChem CID 170212397) has the molecular formula C41H24O3 and a molecular weight of 564.64 g/mol. Its IUPAC name is 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.

Molecular Properties

Compound Name6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
PubChem CID170212397
Molecular FormulaC41H24O3
Molecular Weight564.64 g/mol
Exact Mass564.17
IUPAC Name6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
SMILESCc1oc2ccccc2c1-c1c2ccccc2c(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)c2ccccc12
InChIInChI=1S/C41H24O3/c1-23-39(30-15-7-9-17-35(30)42-23)41-28-13-4-2-11-26(28)40(27-12-3-5-14-29(27)41)24-18-19-36-31(20-24)33-21-32-25-10-6-8-16-34(25)43-37(32)22-38(33)44-36/h2-22H,1H3
InChIKeyCSOWCMXBFYMQPZ-UHFFFAOYSA-N
XLogP12.18
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.64
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene with MolForge

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Related Compounds

19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
2-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176744840
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744536
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952

Frequently Asked Questions

What is the IUPAC name of 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The IUPAC name of 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene (CID 170212397) is 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene.
What is the SMILES notation for 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The canonical SMILES for 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is Cc1oc2ccccc2c1-c1c2ccccc2c(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)c2ccccc12.
What is the InChIKey of 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
The InChIKey is CSOWCMXBFYMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O3/c1-23-39(30-15-7-9-17-35(30)42-23)41-28-13-4-2-11-26(28)40(27-12-3-5-14-29(27)41)24-18-19-36-31(20-24)33-21-32-25-10-6-8-16-34(25)43-37(32)22-38(33)44-36/h2-22H,1H3.
What are the key properties of 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene?
6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene has a molecular weight of 564.64 g/mol, XLogP of 12.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(2-methyl-1-benzofuran-3-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene is sourced from PubChem (CID 170212397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).