16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C56H32O2 — CID 130185466

IUPAC16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7c8ccc9oc%10ccccc%10c9c8oc7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C56H32O2/c1-2-12-34-30-38(25-21-33(34)11-1)52-41-14-4-6-16-43(41)53(44-17-7-5-15-42(44)52)39-26-23-35-29-37(24-22-36(35)31-39)48-32-49-46-27-28-51-54(47-19-9-10-20-50(47)57-51)56(46)58-55(49)45-18-8-3-13-40(45)48/h1-32H
InChIKeyNJCIMGZVRKVVRS-UHFFFAOYSA-N
MW736.87 g/mol
LogP16.25
Rot. Bonds3

About 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130185466) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID130185466
Molecular FormulaC56H32O2
Molecular Weight736.87 g/mol
Exact Mass736.24
IUPAC Name16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7c8ccc9oc%10ccccc%10c9c8oc7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C56H32O2/c1-2-12-34-30-38(25-21-33(34)11-1)52-41-14-4-6-16-43(41)53(44-17-7-5-15-42(44)52)39-26-23-35-29-37(24-22-36(35)31-39)48-32-49-46-27-28-51-54(47-19-9-10-20-50(47)57-51)56(46)58-55(49)45-18-8-3-13-40(45)48/h1-32H
InChIKeyNJCIMGZVRKVVRS-UHFFFAOYSA-N
XLogP16.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.87
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
16-[10-(3-naphthalen-2-ylphenyl)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 122415748
19-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185465
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
11-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[1,2-b][1]benzofuran;6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,1-b][1]benzofuran;5-(10-naphtho[1,2-b][1]benzofuran-5-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 165075509
5-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10-[7-[10-(8-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-2-yl)anthracen-9-yl]naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 163495061
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
9-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;16-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;16-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 159637641
6-(10-naphthalen-2-ylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 163952307
11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 122425864
16-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-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 174289738

Frequently Asked Questions

What is the IUPAC name of 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130185466) is 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(-c6cc7c8ccc9oc%10ccccc%10c9c8oc7c7ccccc67)ccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is NJCIMGZVRKVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-2-12-34-30-38(25-21-33(34)11-1)52-41-14-4-6-16-43(41)53(44-17-7-5-15-42(44)52)39-26-23-35-29-37(24-22-36(35)31-39)48-32-49-46-27-28-51-54(47-19-9-10-20-50(47)57-51)56(46)58-55(49)45-18-8-3-13-40(45)48/h1-32H.
What are the key properties of 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130185466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).