14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde

C27H22O — CID 132551985

IUPAC14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde
SMILESCC1(C)c2cccc3c2-c2c4c1cccc4c(C=O)c1cccc(c21)C3(C)C
InChIInChI=1S/C27H22O/c1-26(2)18-10-5-8-15-17(14-28)16-9-6-11-19-23(16)25(22(15)18)24-20(26)12-7-13-21(24)27(19,3)4/h5-14H,1-4H3
InChIKeyQELKLIXVLQBQFK-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.75
Rot. Bonds1

About 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde

14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde (PubChem CID 132551985) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde.

Molecular Properties

Compound Name14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde
PubChem CID132551985
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde
SMILESCC1(C)c2cccc3c2-c2c4c1cccc4c(C=O)c1cccc(c21)C3(C)C
InChIInChI=1S/C27H22O/c1-26(2)18-10-5-8-15-17(14-28)16-9-6-11-19-23(16)25(22(15)18)24-20(26)12-7-13-21(24)27(19,3)4/h5-14H,1-4H3
InChIKeyQELKLIXVLQBQFK-UHFFFAOYSA-N
XLogP6.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde with MolForge

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Related Compounds

14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbonitrile
CID 132564456
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
1-methyl-2,5-bis(6,6,9,18,18-pentamethyl-3-pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaenyl)pyrrole
CID 134271462
anthracene-9,10-dicarbaldehyde;dihydrochloride
CID 19762841
6,6,9,18,18-pentamethyl-3-[2-(4-phenylphenyl)ethynyl]pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
CID 140586346
6,6,9,18,18-pentamethyl-3-(2-naphthalen-1-ylethynyl)pentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
CID 123850710
1,1,3,3,6-pentamethylphenalen-2-one
CID 177264548
2-aminopyrene-4,5,9,10-tetracarbaldehyde
CID 174701853
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
14,14-dimethyl-8-naphthalen-2-ylpentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 140800333
CID 147342280
CID 147342280
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CID 90823593

Frequently Asked Questions

What is the IUPAC name of 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde?
The IUPAC name of 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde (CID 132551985) is 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde.
What is the SMILES notation for 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde?
The canonical SMILES for 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde is CC1(C)c2cccc3c2-c2c4c1cccc4c(C=O)c1cccc(c21)C3(C)C.
What is the InChIKey of 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde?
The InChIKey is QELKLIXVLQBQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-26(2)18-10-5-8-15-17(14-28)16-9-6-11-19-23(16)25(22(15)18)24-20(26)12-7-13-21(24)27(19,3)4/h5-14H,1-4H3.
What are the key properties of 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde?
14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde has a molecular weight of 362.47 g/mol, XLogP of 6.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,22,22-tetramethylhexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9(21),10,12,15,17,19-decaene-8-carbaldehyde is sourced from PubChem (CID 132551985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).