18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene

C54H30O3 — CID 130185578

IUPAC18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6ccc7ccc8c(oc9ccc%10oc%11ccccc%11c%10c98)c7c6)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C54H30O3/c1-2-11-32(12-3-1)49-36-13-4-6-15-38(36)50(39-16-7-5-14-37(39)49)34-24-26-46-44(30-34)40-19-10-18-35(53(40)56-46)33-22-21-31-23-25-42-52-48(57-54(42)43(31)29-33)28-27-47-51(52)41-17-8-9-20-45(41)55-47/h1-30H
InChIKeyWPCXMGPACZBDIX-UHFFFAOYSA-N
MW726.83 g/mol
LogP15.85
Rot. Bonds3

About 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene

18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene (PubChem CID 130185578) has the molecular formula C54H30O3 and a molecular weight of 726.83 g/mol. Its IUPAC name is 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene.

Molecular Properties

Compound Name18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
PubChem CID130185578
Molecular FormulaC54H30O3
Molecular Weight726.83 g/mol
Exact Mass726.22
IUPAC Name18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6ccc7ccc8c(oc9ccc%10oc%11ccccc%11c%10c98)c7c6)cccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C54H30O3/c1-2-11-32(12-3-1)49-36-13-4-6-15-38(36)50(39-16-7-5-14-37(39)49)34-24-26-46-44(30-34)40-19-10-18-35(53(40)56-46)33-22-21-31-23-25-42-52-48(57-54(42)43(31)29-33)28-27-47-51(52)41-17-8-9-20-45(41)55-47/h1-30H
InChIKeyWPCXMGPACZBDIX-UHFFFAOYSA-N
XLogP15.85
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.83
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;8-[3-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene;22-[3-(10-phenylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;22-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 158188925
2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264292
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 130213583
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
8-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433616
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 161467576

Frequently Asked Questions

What is the IUPAC name of 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?
The IUPAC name of 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene (CID 130185578) is 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene.
What is the SMILES notation for 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?
The canonical SMILES for 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6ccc7ccc8c(oc9ccc%10oc%11ccccc%11c%10c98)c7c6)cccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?
The InChIKey is WPCXMGPACZBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O3/c1-2-11-32(12-3-1)49-36-13-4-6-15-38(36)50(39-16-7-5-14-37(39)49)34-24-26-46-44(30-34)40-19-10-18-35(53(40)56-46)33-22-21-31-23-25-42-52-48(57-54(42)43(31)29-33)28-27-47-51(52)41-17-8-9-20-45(41)55-47/h1-30H.
What are the key properties of 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene?
18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene has a molecular weight of 726.83 g/mol, XLogP of 15.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[8-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16(21),17,19,22-undecaene is sourced from PubChem (CID 130185578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).