4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene

C24H22 — CID 4180281

IUPAC4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
SMILESCc1cc2c(cc1C)C1c3ccccc3C2c2cc(C)c(C)cc21
InChIInChI=1S/C24H22/c1-13-9-19-20(10-14(13)2)24-18-8-6-5-7-17(18)23(19)21-11-15(3)16(4)12-22(21)24/h5-12,23-24H,1-4H3
InChIKeyXXOCXKSAMOGECC-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.91
Rot. Bonds

About 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene

4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene (PubChem CID 4180281) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
PubChem CID4180281
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
SMILESCc1cc2c(cc1C)C1c3ccccc3C2c2cc(C)c(C)cc21
InChIInChI=1S/C24H22/c1-13-9-19-20(10-14(13)2)24-18-8-6-5-7-17(18)23(19)21-11-15(3)16(4)12-22(21)24/h5-12,23-24H,1-4H3
InChIKeyXXOCXKSAMOGECC-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene?
The IUPAC name of 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene (CID 4180281) is 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene.
What is the SMILES notation for 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene?
The canonical SMILES for 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene is Cc1cc2c(cc1C)C1c3ccccc3C2c2cc(C)c(C)cc21.
What is the InChIKey of 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene?
The InChIKey is XXOCXKSAMOGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-13-9-19-20(10-14(13)2)24-18-8-6-5-7-17(18)23(19)21-11-15(3)16(4)12-22(21)24/h5-12,23-24H,1-4H3.
What are the key properties of 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene?
4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene has a molecular weight of 310.44 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,11,12-tetramethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene is sourced from PubChem (CID 4180281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).