nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione

C136H80O8 — CID 139088210

IUPACnonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
SMILESO=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/4C34H20O2/c4*35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h4*1-16,25-28H
InChIKeyBFRUWIYVMDMHQY-UHFFFAOYSA-N
MW1842.13 g/mol
LogP25.25
Rot. Bonds

About nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione

nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione (PubChem CID 139088210) has the molecular formula C136H80O8 and a molecular weight of 1842.13 g/mol. Its IUPAC name is nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione.

Molecular Properties

Compound Namenonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
PubChem CID139088210
Molecular FormulaC136H80O8
Molecular Weight1842.13 g/mol
Exact Mass1840.59
IUPAC Namenonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione
SMILESO=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21
InChIInChI=1S/4C34H20O2/c4*35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h4*1-16,25-28H
InChIKeyBFRUWIYVMDMHQY-UHFFFAOYSA-N
XLogP25.25
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001842.13
LogP ≤ 525.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione with MolForge

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Related Compounds

heptadecacyclo[22.14.6.65,20.69,16.628,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34.039,44.045,50.051,56.057,62]dohexaconta-2(23),4(21),6(19),8(17),10,12,14,25(38),27(36),29,31,33,39,41,43,45,47,49,51,53,55,57,59,61-tetracosaene-3,7,18,22,26,37-hexone
CID 72809601
4,5-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaene-3,6-dione
CID 102426755
tetradecacyclo[26.6.6.64,11.616,23.02,27.03,12.05,10.013,26.015,24.017,22.029,34.035,40.041,46.047,52]dopentaconta-2,5,7,9,12,15(24),17,19,21,26,29,31,33,35,37,39,41,43,45,47,49,51-docosaene-14,25-dione
CID 3286933
4-methylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9,11,13,15,17,19-octaene-3,6-dione
CID 102426757
(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 11797380
9,10-dinitroso-9,10-dihydroanthracene
CID 56609294
(3R)-3-(3,5-dimethylphenyl)-2-[(1S)-1-(3,5-dimethylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
CID 91563450
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
15,16-dimethylidenetetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 4118963
16-phenyl-16-azatetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-15,17-dione
CID 102335192
3-oxo-1H-2-benzothiophene-1-sulfonamide
CID 154413436
(1S,8R)-4-methoxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13,15(19)-heptaene-16,18-dione
CID 10614452

Frequently Asked Questions

What is the IUPAC name of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione?
The IUPAC name of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione (CID 139088210) is nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione.
What is the SMILES notation for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione?
The canonical SMILES for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione is O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.O=C1C2=C(C(=O)C3=C1C1c4ccccc4C3c3ccccc31)C1c3ccccc3C2c2ccccc21.
What is the InChIKey of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione?
The InChIKey is BFRUWIYVMDMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H20O2/c4*35-33-29-25-17-9-1-2-10-18(17)26(20-12-4-3-11-19(20)25)30(29)34(36)32-28-23-15-7-5-13-21(23)27(31(32)33)22-14-6-8-16-24(22)28/h4*1-16,25-28H.
What are the key properties of nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione?
nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione has a molecular weight of 1842.13 g/mol, XLogP of 25.25, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29,31,33-tetradecaene-3,14-dione is sourced from PubChem (CID 139088210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).