(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene

C16H12 — CID 98514230

IUPAC(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3[C@@H]3C1[C@@H]23
InChIInChI=1S/C16H12/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)15-14(11)16(13)15/h1-8,13-16H/t13?,14-,15-,16?/m0/s1
InChIKeyRATAQXOLJVRERC-PYBGIAKNSA-N
MW204.27 g/mol
LogP3.64
Rot. Bonds

About (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene

(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene (PubChem CID 98514230) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene.

Molecular Properties

Compound Name(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
PubChem CID98514230
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Name(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
SMILESc1ccc2c(c1)C1c3ccccc3[C@@H]3C1[C@@H]23
InChIInChI=1S/C16H12/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)15-14(11)16(13)15/h1-8,13-16H/t13?,14-,15-,16?/m0/s1
InChIKeyRATAQXOLJVRERC-PYBGIAKNSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene with MolForge

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Related Compounds

(2S,3R,4R,6S)-tetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-trien-5-one
CID 177498754
(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
CID 98158883
(12S,13S,22R,23S)-tridecacyclo[22.6.6.64,11.614,21.02,23.03,12.05,10.013,22.015,20.025,30.031,36.037,42.043,48]octatetraconta-2,5,7,9,15,17,19,25,27,29,31,33,35,37,39,41,43,45,47-nonadecaene
CID 124909545
(2S,3S,10S,11S)-25-oxaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4,6,8,13,15,17,19,21,23-nonaene
CID 98140953
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
9,10-bis(7-bicyclo[4.1.0]heptanyl)-9,10-dihydroanthracene
CID 605597
(2S,4S,13S,15R)-29-chlorodecacyclo[14.6.6.65,12.23,14.02,15.04,13.06,11.017,22.023,28.031,36]hexatriaconta-6,8,10,17,19,21,23,25,27,29,31,33,35-tridecaene
CID 99947330
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
pentacyclo[6.6.4.215,18.02,7.09,14]icosa-2,4,6,9,11,13,16,19-octaene
CID 12885776
(2R,3S,4S,8S)-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),5,9,11-tetraen-7-one
CID 98555823

Frequently Asked Questions

What is the IUPAC name of (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene?
The IUPAC name of (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene (CID 98514230) is (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene.
What is the SMILES notation for (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene?
The canonical SMILES for (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene is c1ccc2c(c1)C1c3ccccc3[C@@H]3C1[C@@H]23.
What is the InChIKey of (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene?
The InChIKey is RATAQXOLJVRERC-PYBGIAKNSA-N. The full InChI is InChI=1S/C16H12/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)15-14(11)16(13)15/h1-8,13-16H/t13?,14-,15-,16?/m0/s1.
What are the key properties of (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene?
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene has a molecular weight of 204.27 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene is sourced from PubChem (CID 98514230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).