23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene

C52H30O2 — CID 130190162

IUPAC23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c(oc7ccc8ccccc8c76)c6oc7ccccc7c56)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-3-15-35-31(12-1)14-11-22-37(35)48-40-19-7-5-17-38(40)47(39-18-6-8-20-41(39)48)34-26-24-33(25-27-34)43-30-44-49-36-16-4-2-13-32(36)28-29-46(49)54-51(44)52-50(43)42-21-9-10-23-45(42)53-52/h1-30H
InChIKeyYLOGSLVAHOXGQF-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene

23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene (PubChem CID 130190162) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene.

Molecular Properties

Compound Name23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
PubChem CID130190162
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c(oc7ccc8ccccc8c76)c6oc7ccccc7c56)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C52H30O2/c1-3-15-35-31(12-1)14-11-22-37(35)48-40-19-7-5-17-38(40)47(39-18-6-8-20-41(39)48)34-26-24-33(25-27-34)43-30-44-49-36-16-4-2-13-32(36)28-29-46(49)54-51(44)52-50(43)42-21-9-10-23-45(42)53-52/h1-30H
InChIKeyYLOGSLVAHOXGQF-UHFFFAOYSA-N
XLogP15.10
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.81
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-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

5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene;7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene;18-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene;20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene;23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
CID 158639252
9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 130185320
11-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426995
14-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190174
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 90209334
17-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130185281
17-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 130188634
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130185452
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
16-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122415767
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene?
The IUPAC name of 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene (CID 130190162) is 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene.
What is the SMILES notation for 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene?
The canonical SMILES for 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c(oc7ccc8ccccc8c76)c6oc7ccccc7c56)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene?
The InChIKey is YLOGSLVAHOXGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-3-15-35-31(12-1)14-11-22-37(35)48-40-19-7-5-17-38(40)47(39-18-6-8-20-41(39)48)34-26-24-33(25-27-34)43-30-44-49-36-16-4-2-13-32(36)28-29-46(49)54-51(44)52-50(43)42-21-9-10-23-45(42)53-52/h1-30H.
What are the key properties of 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene?
23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene is sourced from PubChem (CID 130190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).