7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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

C54H30O3 — CID 130185583

IUPAC7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6c(ccc7c8cc9c(cc8oc67)oc6ccccc69)c5)ccc34)c3ccccc23)cc1
InChIInChI=1S/C54H30O3/c1-2-10-31(11-3-1)52-40-13-4-6-15-42(40)53(43-16-7-5-14-41(43)52)35-21-24-39-38-23-19-33(27-48(38)56-49(39)28-35)32-18-22-36-34(26-32)20-25-44-46-29-45-37-12-8-9-17-47(37)55-50(45)30-51(46)57-54(36)44/h1-30H
InChIKeyLNZWXEWTMZVQQY-UHFFFAOYSA-N
MW726.83 g/mol
LogP15.85
Rot. Bonds3

About 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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

7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 (PubChem CID 130185583) has the molecular formula C54H30O3 and a molecular weight of 726.83 g/mol. Its IUPAC name is 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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.

Molecular Properties

Compound Name7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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
PubChem CID130185583
Molecular FormulaC54H30O3
Molecular Weight726.83 g/mol
Exact Mass726.22
IUPAC Name7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6c(ccc7c8cc9c(cc8oc67)oc6ccccc69)c5)ccc34)c3ccccc23)cc1
InChIInChI=1S/C54H30O3/c1-2-10-31(11-3-1)52-40-13-4-6-15-42(40)53(43-16-7-5-14-41(43)52)35-21-24-39-38-23-19-33(27-48(38)56-49(39)28-35)32-18-22-36-34(26-32)20-25-44-46-29-45-37-12-8-9-17-47(37)55-50(45)30-51(46)57-54(36)44/h1-30H
InChIKeyLNZWXEWTMZVQQY-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 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 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

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
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
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-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
CID 130185438
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 159706352
2-(3,10-diphenylanthracen-9-yl)dibenzofuran;2-(2,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)dibenzofuran;2-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(10-naphtho[1,2-b][1]benzofuran-8-yl-2-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 167547924
18-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185542
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130213581
9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709

Frequently Asked Questions

What is the IUPAC name of 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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?
The IUPAC name of 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 (CID 130185583) is 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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.
What is the SMILES notation for 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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?
The canonical SMILES for 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5ccc6c(ccc7c8cc9c(cc8oc67)oc6ccccc69)c5)ccc34)c3ccccc23)cc1.
What is the InChIKey of 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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?
The InChIKey is LNZWXEWTMZVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O3/c1-2-10-31(11-3-1)52-40-13-4-6-15-42(40)53(43-16-7-5-14-41(43)52)35-21-24-39-38-23-19-33(27-48(38)56-49(39)28-35)32-18-22-36-34(26-32)20-25-44-46-29-45-37-12-8-9-17-47(37)55-50(45)30-51(46)57-54(36)44/h1-30H.
What are the key properties of 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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?
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 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 7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-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 is sourced from PubChem (CID 130185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).