6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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

C52H32O2 — CID 163568883

IUPAC6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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
SMILESC1=CCC(c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7cc8oc9ccccc9c8cc7c56)c5ccccc45)cc3c2)C=C1
InChIInChI=1S/C52H32O2/c1-2-10-31(11-3-1)33-20-18-32-19-21-35(27-37(32)26-33)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)36-22-24-43-48(29-36)54-47-25-23-34-28-49-45(30-44(34)52(43)47)38-12-8-9-17-46(38)53-49/h1-10,12-31H,11H2
InChIKeyFSQIAPOLFULAJL-UHFFFAOYSA-N
MW688.83 g/mol
LogP15.03
Rot. Bonds3

About 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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

6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 (PubChem CID 163568883) has the molecular formula C52H32O2 and a molecular weight of 688.83 g/mol. Its IUPAC name is 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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.

Molecular Properties

Compound Name6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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
PubChem CID163568883
Molecular FormulaC52H32O2
Molecular Weight688.83 g/mol
Exact Mass688.24
IUPAC Name6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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
SMILESC1=CCC(c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7cc8oc9ccccc9c8cc7c56)c5ccccc45)cc3c2)C=C1
InChIInChI=1S/C52H32O2/c1-2-10-31(11-3-1)33-20-18-32-19-21-35(27-37(32)26-33)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)36-22-24-43-48(29-36)54-47-25-23-34-28-49-45(30-44(34)52(43)47)38-12-8-9-17-46(38)53-49/h1-10,12-31H,11H2
InChIKeyFSQIAPOLFULAJL-UHFFFAOYSA-N
XLogP15.03
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 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
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
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),17,19,21-undecaene
CID 126718289
20-[10-(5-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-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 163886915
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009511
9-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 130225797
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027
19-[4-(10-naphthalen-2-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
CID 130190197
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514

Frequently Asked Questions

What is the IUPAC name of 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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?
The IUPAC name of 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 163568883) is 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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.
What is the SMILES notation for 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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?
The canonical SMILES for 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 is C1=CCC(c2ccc3ccc(-c4c5ccccc5c(-c5ccc6c(c5)oc5ccc7cc8oc9ccccc9c8cc7c56)c5ccccc45)cc3c2)C=C1.
What is the InChIKey of 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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?
The InChIKey is FSQIAPOLFULAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O2/c1-2-10-31(11-3-1)33-20-18-32-19-21-35(27-37(32)26-33)50-39-13-4-6-15-41(39)51(42-16-7-5-14-40(42)50)36-22-24-43-48(29-36)54-47-25-23-34-28-49-45(30-44(34)52(43)47)38-12-8-9-17-46(38)53-49/h1-10,12-31H,11H2.
What are the key properties of 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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?
6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 has a molecular weight of 688.83 g/mol, XLogP of 15.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(7-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)anthracen-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 is sourced from PubChem (CID 163568883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).