(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene

C18H16 — CID 95564439

IUPAC(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3C2[C@@H]2CC[C@H]12
InChIInChI=1S/C18H16/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-9-15(16)17/h1-8,15-18H,9-10H2/t15-,16+,17?,18?
InChIKeyAVTFCNUAUWQNAU-OQSMONGASA-N
MW232.33 g/mol
LogP4.30
Rot. Bonds

About (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene

(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene (PubChem CID 95564439) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
PubChem CID95564439
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3C2[C@@H]2CC[C@H]12
InChIInChI=1S/C18H16/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-9-15(16)17/h1-8,15-18H,9-10H2/t15-,16+,17?,18?
InChIKeyAVTFCNUAUWQNAU-OQSMONGASA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene with MolForge

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Related Compounds

(15S,19R)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene
CID 10243706
9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
CID 605597
(2S,21S)-4,7,10,13,16,19-hexaoxapentacyclo[20.6.6.02,21.023,28.029,34]tetratriaconta-23,25,27,29,31,33-hexaene
CID 14225605
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
(12S,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 124909591
(12R,13R,18R,19S)-decacyclo[18.6.6.64,11.02,19.03,12.05,10.013,18.021,26.027,32.033,38]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene
CID 98159522
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;hydrochloride
CID 158531622
tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
CID 130027584
(1R,4S)-1,4-dibromo-1,2,3,4-tetrahydronaphthalene
CID 45356914
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
CID 98514230

Frequently Asked Questions

What is the IUPAC name of (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene?
The IUPAC name of (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene (CID 95564439) is (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene is c1ccc2c(c1)C1c3ccccc3C2[C@@H]2CC[C@H]12.
What is the InChIKey of (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene?
The InChIKey is AVTFCNUAUWQNAU-OQSMONGASA-N. The full InChI is InChI=1S/C18H16/c1-2-6-12-11(5-1)17-13-7-3-4-8-14(13)18(12)16-10-9-15(16)17/h1-8,15-18H,9-10H2/t15-,16+,17?,18?.
What are the key properties of (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene?
(15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene has a molecular weight of 232.33 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,18R)-pentacyclo[6.6.4.02,7.09,14.015,18]octadeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 95564439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).