14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene

C49H32O — CID 130189313

IUPAC14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
SMILESCC1(C)c2ccc3c(oc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc43)c2-c2ccc3ccccc3c21
InChIInChI=1S/C49H32O/c1-49(2)42-26-25-39-41-28-31(23-27-43(41)50-48(39)46(42)40-24-22-30-13-4-6-16-33(30)47(40)49)44-35-17-7-9-19-37(35)45(38-20-10-8-18-36(38)44)34-21-11-14-29-12-3-5-15-32(29)34/h3-28H,1-2H3
InChIKeyAFGPMIHTZPKNBM-UHFFFAOYSA-N
MW636.79 g/mol
LogP13.84
Rot. Bonds2

About 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene

14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 130189313) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
PubChem CID130189313
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
SMILESCC1(C)c2ccc3c(oc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc43)c2-c2ccc3ccccc3c21
InChIInChI=1S/C49H32O/c1-49(2)42-26-25-39-41-28-31(23-27-43(41)50-48(39)46(42)40-24-22-30-13-4-6-16-33(30)47(40)49)44-35-17-7-9-19-37(35)45(38-20-10-8-18-36(38)44)34-21-11-14-29-12-3-5-15-32(29)34/h3-28H,1-2H3
InChIKeyAFGPMIHTZPKNBM-UHFFFAOYSA-N
XLogP13.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
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
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130211750
2-[10-(11,11-dimethylbenzo[a]fluoren-10-yl)anthracen-9-yl]dibenzofuran
CID 121421339
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-14-oxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130189280
9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185993
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-thiahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130189679
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
8-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 146651930
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
4-[10-(11,11-dimethylbenzo[a]fluoren-7-yl)anthracen-9-yl]benzo[a]anthracene;11,11-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]fluorene;11,11-dimethyl-7-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 159899062

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene (CID 130189313) is 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene is CC1(C)c2ccc3c(oc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc43)c2-c2ccc3ccccc3c21.
What is the InChIKey of 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is AFGPMIHTZPKNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-49(2)42-26-25-39-41-28-31(23-27-43(41)50-48(39)46(42)40-24-22-30-13-4-6-16-33(30)47(40)49)44-35-17-7-9-19-37(35)45(38-20-10-8-18-36(38)44)34-21-11-14-29-12-3-5-15-32(29)34/h3-28H,1-2H3.
What are the key properties of 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene?
14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 636.79 g/mol, XLogP of 13.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130189313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).