tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene

C54H36 — CID 15448870

IUPACtridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene
SMILESc1ccc2c(c1)CC1c3ccccc3-c3c1c1c4c5c3C(Cc3ccccc3-c3cc-2cc(c3)-c2ccccc2CC4c2ccccc2-1)c1ccccc1-5
InChIInChI=1S/C54H36/c1-4-16-37-31(13-1)28-46-40-19-7-10-22-43(40)49-52(46)50-44-23-11-8-20-41(44)47-29-32-14-2-5-17-38(32)35-25-34(37)26-36(27-35)39-18-6-3-15-33(39)30-48-42-21-9-12-24-45(42)51(53(48)49)54(47)50/h1-27,46-48H,28-30H2
InChIKeyRPCGWYCINSMWQJ-UHFFFAOYSA-N
MW684.88 g/mol
LogP13.38
Rot. Bonds

About tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene

tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene (PubChem CID 15448870) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene.

Molecular Properties

Compound Nametridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene
PubChem CID15448870
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Nametridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene
SMILESc1ccc2c(c1)CC1c3ccccc3-c3c1c1c4c5c3C(Cc3ccccc3-c3cc-2cc(c3)-c2ccccc2CC4c2ccccc2-1)c1ccccc1-5
InChIInChI=1S/C54H36/c1-4-16-37-31(13-1)28-46-40-19-7-10-22-43(40)49-52(46)50-44-23-11-8-20-41(44)47-29-32-14-2-5-17-38(32)35-25-34(37)26-36(27-35)39-18-6-3-15-33(39)30-48-42-21-9-12-24-45(42)51(53(48)49)54(47)50/h1-27,46-48H,28-30H2
InChIKeyRPCGWYCINSMWQJ-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene?
The IUPAC name of tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene (CID 15448870) is tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene.
What is the SMILES notation for tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene?
The canonical SMILES for tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene is c1ccc2c(c1)CC1c3ccccc3-c3c1c1c4c5c3C(Cc3ccccc3-c3cc-2cc(c3)-c2ccccc2CC4c2ccccc2-1)c1ccccc1-5.
What is the InChIKey of tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene?
The InChIKey is RPCGWYCINSMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-4-16-37-31(13-1)28-46-40-19-7-10-22-43(40)49-52(46)50-44-23-11-8-20-41(44)47-29-32-14-2-5-17-38(32)35-25-34(37)26-36(27-35)39-18-6-3-15-33(39)30-48-42-21-9-12-24-45(42)51(53(48)49)54(47)50/h1-27,46-48H,28-30H2.
What are the key properties of tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene?
tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene has a molecular weight of 684.88 g/mol, XLogP of 13.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecacyclo[25.18.7.110,37.125,29.02,7.08,45.09,17.011,16.019,24.030,35.038,43.047,52.044,53]tetrapentaconta-2,4,6,8,10(53),11,13,15,19,21,23,25,27,29(54),30,32,34,38,40,42,44,47,49,51-tetracosaene is sourced from PubChem (CID 15448870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).