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

C49H32O — CID 130189280

IUPAC9,9-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1oc3c4ccccc4ccc3c21
InChIInChI=1S/C49H32O/c1-49(2)41-26-27-43-47(40-25-22-30-13-4-6-16-33(30)48(40)50-43)46(41)39-24-23-31(28-42(39)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
InChIKeyJFGNFZGDAWYQGN-UHFFFAOYSA-N
MW636.79 g/mol
LogP13.84
Rot. Bonds2

About 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

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 (PubChem CID 130189280) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID130189280
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name9,9-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1oc3c4ccccc4ccc3c21
InChIInChI=1S/C49H32O/c1-49(2)41-26-27-43-47(40-25-22-30-13-4-6-16-33(30)48(40)50-43)46(41)39-24-23-31(28-42(39)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
InChIKeyJFGNFZGDAWYQGN-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 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 with MolForge

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Related Compounds

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
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
3,3-dimethyl-6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-14-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 130189461
11-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-3,3-dimethyl-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130189632
7-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190368
9,9-dimethyl-6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[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 130189513
19-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190367
14-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190377
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-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
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2-c2c1ccc1oc3c4ccccc4ccc3c21.
What is the InChIKey of 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?
The InChIKey is JFGNFZGDAWYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-49(2)41-26-27-43-47(40-25-22-30-13-4-6-16-33(30)48(40)50-43)46(41)39-24-23-31(28-42(39)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 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?
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 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 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 is sourced from PubChem (CID 130189280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).