9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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

C56H32O2 — CID 130185432

IUPAC9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C56H32O2/c1-2-14-34-31-35(26-25-33(34)13-1)52-42-20-7-9-22-44(42)53(45-23-10-8-21-43(45)52)46-28-27-39(36-15-3-4-16-37(36)46)49-32-51-54(41-19-6-5-17-38(41)49)48-30-29-47-40-18-11-12-24-50(40)57-55(47)56(48)58-51/h1-32H
InChIKeyLLPGODMERGBQPG-UHFFFAOYSA-N
MW736.87 g/mol
LogP16.25
Rot. Bonds3

About 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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

9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 (PubChem CID 130185432) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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.

Molecular Properties

Compound Name9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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
PubChem CID130185432
Molecular FormulaC56H32O2
Molecular Weight736.87 g/mol
Exact Mass736.24
IUPAC Name9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/C56H32O2/c1-2-14-34-31-35(26-25-33(34)13-1)52-42-20-7-9-22-44(42)53(45-23-10-8-21-43(45)52)46-28-27-39(36-15-3-4-16-37(36)46)49-32-51-54(41-19-6-5-17-38(41)49)48-30-29-47-40-18-11-12-24-50(40)57-55(47)56(48)58-51/h1-32H
InChIKeyLLPGODMERGBQPG-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 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 with MolForge

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Related Compounds

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)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775
12-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568808
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
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
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
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568993
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426855
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 59413106
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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?
The IUPAC name of 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 130185432) is 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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.
What is the SMILES notation for 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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?
The canonical SMILES for 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7c(ccc8c9ccccc9oc87)c6c6ccccc56)c5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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?
The InChIKey is LLPGODMERGBQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-2-14-34-31-35(26-25-33(34)13-1)52-42-20-7-9-22-44(42)53(45-23-10-8-21-43(45)52)46-28-27-39(36-15-3-4-16-37(36)46)49-32-51-54(41-19-6-5-17-38(41)49)48-30-29-47-40-18-11-12-24-50(40)57-55(47)56(48)58-51/h1-32H.
What are the key properties of 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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?
9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 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 9-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-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 is sourced from PubChem (CID 130185432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).