nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one

C34H18O — CID 71359032

IUPACnonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one
SMILESO=C1c2ccccc2-c2ccc3c4ccc5c6c(c7ccccc7c(c7ccc1c2c37)c64)CC=C5
InChIInChI=1S/C34H18O/c35-34-26-10-4-2-8-20(26)23-14-15-24-25-13-12-18-6-5-11-21-19-7-1-3-9-22(19)31(33(25)29(18)21)27-16-17-28(34)32(23)30(24)27/h1-10,12-17H,11H2
InChIKeyUMFKJWDOTWPQBO-UHFFFAOYSA-N
MW442.52 g/mol
LogP8.67
Rot. Bonds

About nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one

nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one (PubChem CID 71359032) has the molecular formula C34H18O and a molecular weight of 442.52 g/mol. Its IUPAC name is nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one.

Molecular Properties

Compound Namenonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one
PubChem CID71359032
Molecular FormulaC34H18O
Molecular Weight442.52 g/mol
Exact Mass442.14
IUPAC Namenonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one
SMILESO=C1c2ccccc2-c2ccc3c4ccc5c6c(c7ccccc7c(c7ccc1c2c37)c64)CC=C5
InChIInChI=1S/C34H18O/c35-34-26-10-4-2-8-20(26)23-14-15-24-25-13-12-18-6-5-11-21-19-7-1-3-9-22(19)31(33(25)29(18)21)27-16-17-28(34)32(23)30(24)27/h1-10,12-17H,11H2
InChIKeyUMFKJWDOTWPQBO-UHFFFAOYSA-N
XLogP8.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one with MolForge

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Related Compounds

nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
CID 8317
30-aminononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),22,24,26,28,33-hexadecaene-12,21-dione
CID 5464121
23,24,25-trichlorononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,21,23,25,28(32),29,33-hexadecaen-12-one
CID 156704712
6-(6H-phenalen-1-yl)-1H-phenalene
CID 132501427
CID 22956531
CID 22956531
7-phenyl-1H-benzo[a]phenalene
CID 123339863
15H-cyclopenta[a]phenanthrene;methane
CID 158927443
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
19-(2-methylphenyl)tridecacyclo[22.17.2.225,28.13,10.02,20.04,9.011,16.021,42.026,38.027,35.029,34.039,43.018,46]hexatetraconta-1(42),2,4,6,8,10(46),11,13,15,17,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene
CID 153466611
3-nitrobenzo[b]phenalen-7-one
CID 2825690
4H-triphenylen-1-one
CID 21225631
decacyclo[22.9.2.17,11.02,20.04,18.06,16.021,34.025,30.031,35.015,36]hexatriaconta-1(34),2,4,6(16),7,9,11(36),12,14,17,19,21,23,25,27,29,31(35),32-octadecaene
CID 150178057

Frequently Asked Questions

What is the IUPAC name of nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one?
The IUPAC name of nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one (CID 71359032) is nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one.
What is the SMILES notation for nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one?
The canonical SMILES for nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one is O=C1c2ccccc2-c2ccc3c4ccc5c6c(c7ccccc7c(c7ccc1c2c37)c64)CC=C5.
What is the InChIKey of nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one?
The InChIKey is UMFKJWDOTWPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18O/c35-34-26-10-4-2-8-20(26)23-14-15-24-25-13-12-18-6-5-11-21-19-7-1-3-9-22(19)31(33(25)29(18)21)27-16-17-28(34)32(23)30(24)27/h1-10,12-17H,11H2.
What are the key properties of nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one?
nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one has a molecular weight of 442.52 g/mol, XLogP of 8.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[18.10.2.22,5.03,16.04,13.07,12.017,31.024,32.025,30]tetratriaconta-1(31),2(34),3(16),4(13),5(33),7,9,11,14,17,19,21,24(32),25,27,29-hexadecaen-6-one is sourced from PubChem (CID 71359032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).