15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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

C51H32O2 — CID 130189604

IUPAC15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3oc4ccc5ccccc5c4c3c21
InChIInChI=1S/C51H32O2/c1-51(2)40-21-11-9-20-37(40)47-39(28-44-49(50(47)51)48-31-14-4-3-13-29(31)23-26-43(48)53-44)46-35-18-7-5-16-33(35)45(34-17-6-8-19-36(34)46)30-24-25-42-38(27-30)32-15-10-12-22-41(32)52-42/h3-28H,1-2H3
InChIKeyNCYBGFMHOXDHSM-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.59
Rot. Bonds2

About 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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

15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 (PubChem CID 130189604) has the molecular formula C51H32O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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.

Molecular Properties

Compound Name15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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
PubChem CID130189604
Molecular FormulaC51H32O2
Molecular Weight676.82 g/mol
Exact Mass676.24
IUPAC Name15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3oc4ccc5ccccc5c4c3c21
InChIInChI=1S/C51H32O2/c1-51(2)40-21-11-9-20-37(40)47-39(28-44-49(50(47)51)48-31-14-4-3-13-29(31)23-26-43(48)53-44)46-35-18-7-5-16-33(35)45(34-17-6-8-19-36(34)46)30-24-25-42-38(27-30)32-15-10-12-22-41(32)52-42/h3-28H,1-2H3
InChIKeyNCYBGFMHOXDHSM-UHFFFAOYSA-N
XLogP14.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 with MolForge

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Related Compounds

2-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 164758476
5-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;2-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 161089842
2-[10-(11,11-dimethylbenzo[a]fluoren-10-yl)anthracen-9-yl]dibenzofuran
CID 121421339
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
14,14-dimethyl-12-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426120
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487924
2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 159493437
9-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487938
23,23-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(22),18,20-undecaene
CID 130189437
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146

Frequently Asked Questions

What is the IUPAC name of 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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?
The IUPAC name of 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 (CID 130189604) is 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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.
What is the SMILES notation for 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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?
The canonical SMILES for 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc3oc4ccc5ccccc5c4c3c21.
What is the InChIKey of 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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?
The InChIKey is NCYBGFMHOXDHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O2/c1-51(2)40-21-11-9-20-37(40)47-39(28-44-49(50(47)51)48-31-14-4-3-13-29(31)23-26-43(48)53-44)46-35-18-7-5-16-33(35)45(34-17-6-8-19-36(34)46)30-24-25-42-38(27-30)32-15-10-12-22-41(32)52-42/h3-28H,1-2H3.
What are the key properties of 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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?
15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 has a molecular weight of 676.82 g/mol, XLogP of 14.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(10-dibenzofuran-2-ylanthracen-9-yl)-23,23-dimethyl-12-oxahexacyclo[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 is sourced from PubChem (CID 130189604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).