pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene

C24H20 — CID 10709953

IUPACpentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
SMILESc1cc2ccc3cc(c-2c1)CCc1cc(ccc2cccc1-2)CC3
InChIInChI=1S/C24H20/c1-3-19-11-9-17-7-8-18-10-12-20-4-2-6-24(20)22(16-18)14-13-21(15-17)23(19)5-1/h1-6,9-12,15-16H,7-8,13-14H2
InChIKeyCQGFYIFTBHWSBZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.78
Rot. Bonds

About pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene

pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene (PubChem CID 10709953) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene.

Molecular Properties

Compound Namepentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
PubChem CID10709953
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Namepentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
SMILESc1cc2ccc3cc(c-2c1)CCc1cc(ccc2cccc1-2)CC3
InChIInChI=1S/C24H20/c1-3-19-11-9-17-7-8-18-10-12-20-4-2-6-24(20)22(16-18)14-13-21(15-17)23(19)5-1/h1-6,9-12,15-16H,7-8,13-14H2
InChIKeyCQGFYIFTBHWSBZ-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The IUPAC name of pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene (CID 10709953) is pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene.
What is the SMILES notation for pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The canonical SMILES for pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene is c1cc2ccc3cc(c-2c1)CCc1cc(ccc2cccc1-2)CC3.
What is the InChIKey of pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The InChIKey is CQGFYIFTBHWSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-3-19-11-9-17-7-8-18-10-12-20-4-2-6-24(20)22(16-18)14-13-21(15-17)23(19)5-1/h1-6,9-12,15-16H,7-8,13-14H2.
What are the key properties of pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene has a molecular weight of 308.42 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[13.7.1.14,12.05,9.018,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene is sourced from PubChem (CID 10709953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).