tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene

C24H24 — CID 15620080

IUPACtetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene
SMILESc1ccc2c(c1)-c1ccc(cc1)CCCCCCc1ccc-2cc1
InChIInChI=1S/C24H24/c1-2-4-8-20-13-17-22(18-14-20)24-10-6-5-9-23(24)21-15-11-19(7-3-1)12-16-21/h5-6,9-18H,1-4,7-8H2
InChIKeyGUQSDOYDWRDUNT-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.68
Rot. Bonds

About tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene

tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene (PubChem CID 15620080) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene.

Molecular Properties

Compound Nametetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene
PubChem CID15620080
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Nametetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene
SMILESc1ccc2c(c1)-c1ccc(cc1)CCCCCCc1ccc-2cc1
InChIInChI=1S/C24H24/c1-2-4-8-20-13-17-22(18-14-20)24-10-6-5-9-23(24)21-15-11-19(7-3-1)12-16-21/h5-6,9-18H,1-4,7-8H2
InChIKeyGUQSDOYDWRDUNT-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene with MolForge

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Related Compounds

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CID 2751912
4,5-dimethyltetracyclo[13.2.2.28,11.02,7]henicosa-1(17),2(7),3,5,8(21),9,11(20),15,18-nonaene
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CID 636069
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CID 102213835
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Frequently Asked Questions

What is the IUPAC name of tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene?
The IUPAC name of tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene (CID 15620080) is tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene.
What is the SMILES notation for tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene?
The canonical SMILES for tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene is c1ccc2c(c1)-c1ccc(cc1)CCCCCCc1ccc-2cc1.
What is the InChIKey of tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene?
The InChIKey is GUQSDOYDWRDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-2-4-8-20-13-17-22(18-14-20)24-10-6-5-9-23(24)21-15-11-19(7-3-1)12-16-21/h5-6,9-18H,1-4,7-8H2.
What are the key properties of tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene?
tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene has a molecular weight of 312.46 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[16.2.2.28,11.02,7]tetracosa-1(20),2,4,6,8(24),9,11(23),18,21-nonaene is sourced from PubChem (CID 15620080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).