octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene

C29H20 — CID 15664828

IUPACoctacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene
SMILESc1ccc2c(c1)CC13C4c5ccccc5C1c1ccccc1C23c1ccccc14
InChIInChI=1S/C29H20/c1-6-14-23-18(9-1)17-28-26-19-10-2-3-11-20(19)27(28)22-13-5-8-16-25(22)29(23,28)24-15-7-4-12-21(24)26/h1-16,26-27H,17H2
InChIKeyTYGXBKPVHJNFNO-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.17
Rot. Bonds

About octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene

octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene (PubChem CID 15664828) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene.

Molecular Properties

Compound Nameoctacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene
PubChem CID15664828
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Nameoctacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene
SMILESc1ccc2c(c1)CC13C4c5ccccc5C1c1ccccc1C23c1ccccc14
InChIInChI=1S/C29H20/c1-6-14-23-18(9-1)17-28-26-19-10-2-3-11-20(19)27(28)22-13-5-8-16-25(22)29(23,28)24-15-7-4-12-21(24)26/h1-16,26-27H,17H2
InChIKeyTYGXBKPVHJNFNO-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene with MolForge

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Related Compounds

9,9-Diphenylfluorene
CID 413569
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Truxene
CID 68355
2-phenyl-1,2''-spirobi[1H-indene]
CID 22600576
9,9'-Spirobi(9H-fluorene)
CID 135975
Fluorene, 9-(diphenylmethylene)-
CID 238872
Isotruxene
CID 519436
9-[2-(9H-Fluoren-9-yl)ethyl]-9H-fluorene
CID 601495
Tetramethyl tribenzocentrotriquinacene
CID 629435
1-Methyl-1,3,3-triphenylindane
CID 631360
9,9'-Dimethyl-9H,9'H-[9,9]bifluorenyl
CID 6424844

Frequently Asked Questions

What is the IUPAC name of octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene?
The IUPAC name of octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene (CID 15664828) is octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene.
What is the SMILES notation for octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene?
The canonical SMILES for octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene is c1ccc2c(c1)CC13C4c5ccccc5C1c1ccccc1C23c1ccccc14.
What is the InChIKey of octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene?
The InChIKey is TYGXBKPVHJNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-6-14-23-18(9-1)17-28-26-19-10-2-3-11-20(19)27(28)22-13-5-8-16-25(22)29(23,28)24-15-7-4-12-21(24)26/h1-16,26-27H,17H2.
What are the key properties of octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene?
octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene has a molecular weight of 368.48 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[13.8.6.01,16.02,7.08,16.09,14.018,23.024,29]nonacosa-2,4,6,9,11,13,18,20,22,24,26,28-dodecaene is sourced from PubChem (CID 15664828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).