nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene

C32H24 — CID 15668673

IUPACnonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene
SMILESc1ccc2c(c1)C[C@]13c4ccccc4C[C@]21[C@@]12Cc4ccccc4[C@@]31Cc1ccccc12
InChIInChI=1S/C32H24/c1-5-13-25-21(9-1)17-29-26-14-6-2-10-22(26)18-30(25,29)32-20-24-12-3-7-15-27(24)31(29,32)19-23-11-4-8-16-28(23)32/h1-16H,17-20H2/t29-,30-,31-,32-
InChIKeyHGIFCEFQBHZKOZ-TVLXLKRTSA-N
MW408.54 g/mol
LogP5.98
Rot. Bonds

About nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene

nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene (PubChem CID 15668673) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene.

Molecular Properties

Compound Namenonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene
PubChem CID15668673
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Namenonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene
SMILESc1ccc2c(c1)C[C@]13c4ccccc4C[C@]21[C@@]12Cc4ccccc4[C@@]31Cc1ccccc12
InChIInChI=1S/C32H24/c1-5-13-25-21(9-1)17-29-26-14-6-2-10-22(26)18-30(25,29)32-20-24-12-3-7-15-27(24)31(29,32)19-23-11-4-8-16-28(23)32/h1-16H,17-20H2/t29-,30-,31-,32-
InChIKeyHGIFCEFQBHZKOZ-TVLXLKRTSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene with MolForge

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Related Compounds

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CID 629435
22-Methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene
CID 10957370
Nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2,4,6(32),7,9,12,14,16(31),17,19,21,23,25(30),26,28-pentadecaene
CID 11211803
Triptindane
CID 12444533
(1R,8R,15R,22S)-heptacyclo[13.10.1.02,7.08,26.09,14.016,21.022,26]hexacosa-2,4,6,9,11,13,16,18,20-nonaene
CID 13691979
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
Decacyclo[13.9.6.617,24.01,16.02,7.08,16.09,14.018,23.025,30.031,36]hexatriaconta-2,4,6,9,11,13,18,20,22,25,27,29,31,33,35-pentadecaene
CID 15760753
9-(9H-fluoren-9-ylmethyl)-9-[[9-(9H-fluoren-9-ylmethyl)fluoren-9-yl]methyl]fluorene
CID 5245902
Fenestrindane
CID 11068606
4,4'-bi-9,9'-spirobi[9H-fluurene]
CID 101483568
CID 139059557
CID 139059557
1,8,15,22-Tetramethyloctacyclo[13.13.1.02,7.08,29.09,14.016,21.022,29.023,28]nonacosa-2,4,6,9,11,13,16,18,20,23,25,27-dodecaene
CID 14903538

Frequently Asked Questions

What is the IUPAC name of nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene?
The IUPAC name of nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene (CID 15668673) is nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene.
What is the SMILES notation for nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene?
The canonical SMILES for nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene is c1ccc2c(c1)C[C@]13c4ccccc4C[C@]21[C@@]12Cc4ccccc4[C@@]31Cc1ccccc12.
What is the InChIKey of nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene?
The InChIKey is HGIFCEFQBHZKOZ-TVLXLKRTSA-N. The full InChI is InChI=1S/C32H24/c1-5-13-25-21(9-1)17-29-26-14-6-2-10-22(26)18-30(25,29)32-20-24-12-3-7-15-27(24)31(29,32)19-23-11-4-8-16-28(23)32/h1-16H,17-20H2/t29-,30-,31-,32-.
What are the key properties of nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene?
nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene has a molecular weight of 408.54 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[9.7.7.72,10.01,11.02,10.03,8.012,17.019,24.026,31]dotriaconta-3,5,7,12,14,16,19,21,23,26,28,30-dodecaene is sourced from PubChem (CID 15668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).