5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

C70H40O2 — CID 59182108

IUPAC5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4cccc6c4c-5cc4oc5cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)ccc5c46)c4ccccc34)ccc2c1
InChIInChI=1S/C70H40O2/c1-3-16-43-36-45(30-28-41(43)14-1)65-50-18-5-9-22-54(50)67(55-23-10-6-19-51(55)65)47-32-34-49-60-40-64-69(59-26-13-27-61(70(59)60)71-62(49)38-47)58-35-33-48(39-63(58)72-64)68-56-24-11-7-20-52(56)66(53-21-8-12-25-57(53)68)46-31-29-42-15-2-4-17-44(42)37-46/h1-40H
InChIKeyLGEFJUZBXYTRBS-UHFFFAOYSA-N
MW913.09 g/mol
LogP20.10
Rot. Bonds4

About 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene

5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (PubChem CID 59182108) has the molecular formula C70H40O2 and a molecular weight of 913.09 g/mol. Its IUPAC name is 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.

Molecular Properties

Compound Name5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
PubChem CID59182108
Molecular FormulaC70H40O2
Molecular Weight913.09 g/mol
Exact Mass912.30
IUPAC Name5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4cccc6c4c-5cc4oc5cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)ccc5c46)c4ccccc34)ccc2c1
InChIInChI=1S/C70H40O2/c1-3-16-43-36-45(30-28-41(43)14-1)65-50-18-5-9-22-54(50)67(55-23-10-6-19-51(55)65)47-32-34-49-60-40-64-69(59-26-13-27-61(70(59)60)71-62(49)38-47)58-35-33-48(39-63(58)72-64)68-56-24-11-7-20-52(56)66(53-21-8-12-25-57(53)68)46-31-29-42-15-2-4-17-44(42)37-46/h1-40H
InChIKeyLGEFJUZBXYTRBS-UHFFFAOYSA-N
XLogP20.10
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.09
LogP ≤ 520.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene with MolForge

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Related Compounds

9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
9-methyl-3-[5-(9-methylcarbazol-3-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
CID 59182447
5-(10-dibenzofuran-2-ylanthracen-9-yl)-14-[6-[10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)anthracen-9-yl]naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 166710582
19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
CID 153472141
12-(10-naphthalen-2-ylanthracen-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 165153847
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609
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
4-(10-naphthalen-2-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177264880
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916

Frequently Asked Questions

What is the IUPAC name of 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The IUPAC name of 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene (CID 59182108) is 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene.
What is the SMILES notation for 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The canonical SMILES for 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4cccc6c4c-5cc4oc5cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)ccc5c46)c4ccccc34)ccc2c1.
What is the InChIKey of 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
The InChIKey is LGEFJUZBXYTRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40O2/c1-3-16-43-36-45(30-28-41(43)14-1)65-50-18-5-9-22-54(50)67(55-23-10-6-19-51(55)65)47-32-34-49-60-40-64-69(59-26-13-27-61(70(59)60)71-62(49)38-47)58-35-33-48(39-63(58)72-64)68-56-24-11-7-20-52(56)66(53-21-8-12-25-57(53)68)46-31-29-42-15-2-4-17-44(42)37-46/h1-40H.
What are the key properties of 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene?
5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene has a molecular weight of 913.09 g/mol, XLogP of 20.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene is sourced from PubChem (CID 59182108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).