3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene

C28H24 — CID 123216847

IUPAC3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
SMILESCC1(C)c2ccccc2C(C)(C)c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C28H24/c1-27(2)21-10-5-6-11-22(21)28(3,4)26-20-15-14-18-9-7-8-17-12-13-19(16-23(26)27)25(20)24(17)18/h5-16H,1-4H3
InChIKeyVLWMXSYHEYVXQW-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.55
Rot. Bonds

About 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene

3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene (PubChem CID 123216847) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene.

Molecular Properties

Compound Name3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
PubChem CID123216847
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
SMILESCC1(C)c2ccccc2C(C)(C)c2c1cc1ccc3cccc4ccc2c1c34
InChIInChI=1S/C28H24/c1-27(2)21-10-5-6-11-22(21)28(3,4)26-20-15-14-18-9-7-8-17-12-13-19(16-23(26)27)25(20)24(17)18/h5-16H,1-4H3
InChIKeyVLWMXSYHEYVXQW-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene with MolForge

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Related Compounds

9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 58219949
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
7,7-dimethyl-4-(5-pyren-1-ylnaphthalen-1-yl)benzo[a]phenalene
CID 171045760
19,19-dimethyl-7-naphthalen-1-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11(16),12,14,17-nonaene
CID 171742619
6,6,23,23-tetramethyl-16-thiadecacyclo[27.6.2.02,24.03,22.05,20.07,19.09,17.010,15.026,36.033,37]heptatriaconta-1(36),2(24),3(22),4,7(19),8,10,12,14,17,20,25,27,29(37),30,32,34-heptadecaene
CID 58261381
6-(11,11-dimethylbenzo[a]fluoren-8-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene
CID 142362875
20,20,24,24-tetramethyldecacyclo[28.6.2.02,25.03,23.05,21.06,19.07,16.010,15.027,37.034,38]octatriaconta-1(37),2(25),3(23),4,6(19),7(16),8,10,12,14,17,21,26,28,30(38),31,33,35-octadecaene;20,20,24,24-tetramethyldecacyclo[28.6.2.02,25.03,23.05,21.06,19.08,17.010,15.027,37.034,38]octatriaconta-1(37),2(25),3(23),4,6,8,10,12,14,16,18,21,26,28,30(38),31,33,35-octadecaene;20,20,24,24-tetramethylundecacyclo[24.10.2.27,10.02,25.03,23.05,21.06,19.08,17.09,14.030,38.033,37]tetraconta-1(36),2(25),3(23),4,6(19),7,9(14),10,12,15,17,21,26,28,30(38),31,33(37),34,39-nonadecaene;20,20,24,24-tetramethylundecacyclo[28.6.2.27,10.02,25.03,23.05,21.06,19.08,17.09,14.027,37.034,38]tetraconta-1(37),2(25),3(23),4,6(19),7,9(14),10,12,15,17,21,26,28,30(38),31,33,35,39-nonadecaene
CID 157265694
4-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 58402146
10,10,19,19-tetramethyl-3,26-dioxaoctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2(11),4,6,8,12,14,16,18(27),20,22,24,28(32),29-tetradecaene
CID 90366560
anthracene;chrysene;21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;phenanthrene;picene;pyrene;tetracene
CID 160670506
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
20,20-dimethyl-13-(10-pyren-1-ylanthracen-9-yl)nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene
CID 123715040

Frequently Asked Questions

What is the IUPAC name of 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene?
The IUPAC name of 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene (CID 123216847) is 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene.
What is the SMILES notation for 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene?
The canonical SMILES for 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene is CC1(C)c2ccccc2C(C)(C)c2c1cc1ccc3cccc4ccc2c1c34.
What is the InChIKey of 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene?
The InChIKey is VLWMXSYHEYVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-27(2)21-10-5-6-11-22(21)28(3,4)26-20-15-14-18-9-7-8-17-12-13-19(16-23(26)27)25(20)24(17)18/h5-16H,1-4H3.
What are the key properties of 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene?
3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene has a molecular weight of 360.50 g/mol, XLogP of 7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene is sourced from PubChem (CID 123216847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).