9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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

C55H36O — CID 130211829

IUPAC9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21
InChIInChI=1S/C55H36O/c1-55(2)48-29-25-34-31-51-47(39-18-12-13-23-50(39)56-51)32-46(34)54(48)45-26-24-35(30-49(45)55)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-32H,1-2H3
InChIKeyWACIJAQOFDUQKJ-UHFFFAOYSA-N
MW712.89 g/mol
LogP15.51
Rot. Bonds3

About 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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

9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 130211829) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 Name9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 CID130211829
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21
InChIInChI=1S/C55H36O/c1-55(2)48-29-25-34-31-51-47(39-18-12-13-23-50(39)56-51)32-46(34)54(48)45-26-24-35(30-49(45)55)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-32H,1-2H3
InChIKeyWACIJAQOFDUQKJ-UHFFFAOYSA-N
XLogP15.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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

9,9-dimethyl-6-(10-naphthalen-2-ylanthracen-9-yl)-16-oxahexacyclo[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 130211763
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene
CID 163661774
1-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran;1-[10-(6-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 165057953
1-[4-(9,9-dimethyl-7-pyren-1-ylfluoren-2-yl)phenyl]pyrene;2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158196418
16,16-dimethyl-19-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 130189371
7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,3-dimethyl-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 163540589
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
16,16-dimethyl-20-[3-(10-phenylanthracen-9-yl)phenyl]-10-oxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 130211904
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
21,21-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15(20),16,18,23-undecaene
CID 130211869

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 130211829) is 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 CC1(C)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21.
What is the InChIKey of 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 WACIJAQOFDUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-55(2)48-29-25-34-31-51-47(39-18-12-13-23-50(39)56-51)32-46(34)54(48)45-26-24-35(30-49(45)55)52-40-19-8-10-21-42(40)53(43-22-11-9-20-41(43)52)44-28-27-36(33-14-4-3-5-15-33)37-16-6-7-17-38(37)44/h3-32H,1-2H3.
What are the key properties of 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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?
9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 712.89 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[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 130211829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).