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

C52H30O2 — CID 130213581

IUPAC20-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8ccc9oc%10ccccc%10c9c8cc7c6c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-47-44(28-35)45-30-43-36(29-49(45)54-47)23-25-48-52(43)42-16-8-9-17-46(42)53-48/h1-30H
InChIKeyQKWHYOALCBPECU-UHFFFAOYSA-N
MW686.81 g/mol
LogP15.10
Rot. Bonds3

About 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

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 (PubChem CID 130213581) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name20-[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
PubChem CID130213581
Molecular FormulaC52H30O2
Molecular Weight686.81 g/mol
Exact Mass686.22
IUPAC Name20-[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
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8ccc9oc%10ccccc%10c9c8cc7c6c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H30O2/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-47-44(28-35)45-30-43-36(29-49(45)54-47)23-25-48-52(43)42-16-8-9-17-46(42)53-48/h1-30H
InChIKeyQKWHYOALCBPECU-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 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 with MolForge

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Related Compounds

6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130213574
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
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
3-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487705
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
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-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran;2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 160681067
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8ccc9oc%10ccccc%10c9c8cc7c6c5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is QKWHYOALCBPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-47-44(28-35)45-30-43-36(29-49(45)54-47)23-25-48-52(43)42-16-8-9-17-46(42)53-48/h1-30H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 130213581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).