8-[10-(2,6-diphenylphenyl)anthracen-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

C50H30O2 — CID 171447445

IUPAC8-[10-(2,6-diphenylphenyl)anthracen-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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-3-15-31(16-4-1)33-24-13-25-34(32-17-5-2-6-18-32)48(33)49-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)49)41-27-14-26-40-43-30-45-42(29-46(43)52-50(40)41)35-19-11-12-28-44(35)51-45/h1-30H
InChIKeyYCRXHHRSJSACAN-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 8-[10-(2,6-diphenylphenyl)anthracen-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

8-[10-(2,6-diphenylphenyl)anthracen-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 (PubChem CID 171447445) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 8-[10-(2,6-diphenylphenyl)anthracen-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.

Molecular Properties

Compound Name8-[10-(2,6-diphenylphenyl)anthracen-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
PubChem CID171447445
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name8-[10-(2,6-diphenylphenyl)anthracen-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
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-3-15-31(16-4-1)33-24-13-25-34(32-17-5-2-6-18-32)48(33)49-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)49)41-27-14-26-40-43-30-45-42(29-46(43)52-50(40)41)35-19-11-12-28-44(35)51-45/h1-30H
InChIKeyYCRXHHRSJSACAN-UHFFFAOYSA-N
XLogP14.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
2-(10-dibenzofuran-4-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176743887
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 154595944
8-[10-(7-phenylnaphthalen-1-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 174289652
8-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745042
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 171447225

Frequently Asked Questions

What is the IUPAC name of 8-[10-(2,6-diphenylphenyl)anthracen-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?
The IUPAC name of 8-[10-(2,6-diphenylphenyl)anthracen-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 171447445) is 8-[10-(2,6-diphenylphenyl)anthracen-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.
What is the SMILES notation for 8-[10-(2,6-diphenylphenyl)anthracen-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?
The canonical SMILES for 8-[10-(2,6-diphenylphenyl)anthracen-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 is c1ccc(-c2cccc(-c3ccccc3)c2-c2c3ccccc3c(-c3cccc4c3oc3cc5c(cc34)oc3ccccc35)c3ccccc23)cc1.
What is the InChIKey of 8-[10-(2,6-diphenylphenyl)anthracen-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?
The InChIKey is YCRXHHRSJSACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-3-15-31(16-4-1)33-24-13-25-34(32-17-5-2-6-18-32)48(33)49-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)49)41-27-14-26-40-43-30-45-42(29-46(43)52-50(40)41)35-19-11-12-28-44(35)51-45/h1-30H.
What are the key properties of 8-[10-(2,6-diphenylphenyl)anthracen-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?
8-[10-(2,6-diphenylphenyl)anthracen-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 has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(2,6-diphenylphenyl)anthracen-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 is sourced from PubChem (CID 171447445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).