14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C48H28O2 — CID 130190122

IUPAC14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccc6ccccc6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-13-30(14-3-1)43-35-17-6-8-19-37(35)44(38-20-9-7-18-36(38)43)31-22-24-32(25-23-31)45-47-39(34-16-10-11-21-41(34)49-47)28-40-46-33-15-5-4-12-29(33)26-27-42(46)50-48(40)45/h1-28H
InChIKeyUPSWNPHFVLPMFC-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 130190122) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID130190122
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccc6ccccc6c45)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-13-30(14-3-1)43-35-17-6-8-19-37(35)44(38-20-9-7-18-36(38)43)31-22-24-32(25-23-31)45-47-39(34-16-10-11-21-41(34)49-47)28-40-46-33-15-5-4-12-29(33)26-27-42(46)50-48(40)45/h1-28H
InChIKeyUPSWNPHFVLPMFC-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-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 88568798
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-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(21),17,19,23-undecaene
CID 130190242
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran
CID 155334904
12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-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 134487879
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
18-[10-(6-phenylnaphthalen-2-yl)anthracen-9-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(21),17,19,23-undecaene
CID 130190099
5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190220
23-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(24),2(11),3,5,7,9,13,16,18,20,22-undecaene
CID 130190162
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
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 161462029
14-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130190174

Frequently Asked Questions

What is the IUPAC name of 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 130190122) is 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccc6ccccc6c45)cc3)c3ccccc23)cc1.
What is the InChIKey of 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is UPSWNPHFVLPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-13-30(14-3-1)43-35-17-6-8-19-37(35)44(38-20-9-7-18-36(38)43)31-22-24-32(25-23-31)45-47-39(34-16-10-11-21-41(34)49-47)28-40-46-33-15-5-4-12-29(33)26-27-42(46)50-48(40)45/h1-28H.
What are the key properties of 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(10-phenylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 130190122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).