1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene

C26H24 — CID 629435

IUPAC1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
SMILESCC12c3ccccc3C3(C)c4ccccc4C(C)(c4ccccc41)C23C
InChIInChI=1S/C26H24/c1-23-17-11-5-7-13-19(17)24(2)21-15-9-10-16-22(21)25(3,26(23,24)4)20-14-8-6-12-18(20)23/h5-16H,1-4H3
InChIKeyPENRSUGBHSKUEW-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.95
Rot. Bonds

About 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene

1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene (PubChem CID 629435) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene.

Molecular Properties

Compound Name1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
PubChem CID629435
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
SMILESCC12c3ccccc3C3(C)c4ccccc4C(C)(c4ccccc41)C23C
InChIInChI=1S/C26H24/c1-23-17-11-5-7-13-19(17)24(2)21-15-9-10-16-22(21)25(3,26(23,24)4)20-14-8-6-12-18(20)23/h5-16H,1-4H3
InChIKeyPENRSUGBHSKUEW-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
9,9-Diphenylfluorene
CID 413569
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
9-Benzylidenefluorene
CID 137231
9H-Fluorene, 9-[(4-methylphenyl)methylene]-
CID 302261
1H-Indene, 2,3-dihydro-1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenyl-
CID 170585
9-Methyl-9-phenylfluorene
CID 4383936
1-Methyl-1-phenylindan
CID 99019
2-phenyl-1,2''-spirobi[1H-indene]
CID 22600576
1-Phenyl-3-(2-phenylpropyl)indan
CID 3019819
9-Benzylfluorene
CID 15296
9-(1,1-Dimethylethyl)-9H-fluorene
CID 28295

Frequently Asked Questions

What is the IUPAC name of 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The IUPAC name of 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene (CID 629435) is 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene.
What is the SMILES notation for 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The canonical SMILES for 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene is CC12c3ccccc3C3(C)c4ccccc4C(C)(c4ccccc41)C23C.
What is the InChIKey of 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
The InChIKey is PENRSUGBHSKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-23-17-11-5-7-13-19(17)24(2)21-15-9-10-16-22(21)25(3,26(23,24)4)20-14-8-6-12-18(20)23/h5-16H,1-4H3.
What are the key properties of 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene?
1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene has a molecular weight of 336.48 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene is sourced from PubChem (CID 629435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).