nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione

C34H16O2 — CID 177421008

IUPACnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione
SMILESO=c1cc2c3ccc4cc5ccccc5c5c(=O)cc(c6ccc7c8ccccc8cc1c7c26)c3c45
InChIInChI=1S/C34H16O2/c35-28-15-25-23-10-9-19-13-17-5-2-4-8-21(17)34-29(36)16-26(31(23)30(19)34)24-12-11-22-20-7-3-1-6-18(20)14-27(28)33(22)32(24)25/h1-16H
InChIKeyQCLJNUFBOAZQEL-UHFFFAOYSA-N
MW456.50 g/mol
LogP7.95
Rot. Bonds

About nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione

nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione (PubChem CID 177421008) has the molecular formula C34H16O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione.

Molecular Properties

Compound Namenonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione
PubChem CID177421008
Molecular FormulaC34H16O2
Molecular Weight456.50 g/mol
Exact Mass456.12
IUPAC Namenonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione
SMILESO=c1cc2c3ccc4cc5ccccc5c5c(=O)cc(c6ccc7c8ccccc8cc1c7c26)c3c45
InChIInChI=1S/C34H16O2/c35-28-15-25-23-10-9-19-13-17-5-2-4-8-21(17)34-29(36)16-26(31(23)30(19)34)24-12-11-22-20-7-3-1-6-18(20)14-27(28)33(22)32(24)25/h1-16H
InChIKeyQCLJNUFBOAZQEL-UHFFFAOYSA-N
XLogP7.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione with MolForge

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Related Compounds

nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
octacyclo[19.7.1.12,6.03,20.04,17.05,14.08,13.025,29]triaconta-1(28),2(30),3(20),4(17),5(14),6,8,10,12,15,18,21,23,25(29),26-pentadecaene
CID 21082965
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450
cyclopenta[a]fluorene-1,2-dione
CID 87349541
octacyclo[16.12.0.02,15.03,12.04,29.05,10.019,24.025,30]triaconta-1(18),2(15),3,5,7,9,11,13,16,19,21,23,25(30),26,28-pentadecaene
CID 21083063
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.023,28]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21,23,25,27,29-hexadecaene
CID 21082945
heptacyclo[12.12.0.02,11.03,8.04,25.017,26.019,24]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21,23,25-tridecaene
CID 6455215
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 22222732
nonacyclo[17.11.1.14,8.02,17.03,14.05,30.020,25.027,31.012,32]dotriaconta-1(30),2(17),3(14),4,6,8(32),9,11,15,18,20,22,24,27(31),28-pentadecaene-13,26-dione
CID 4616247
heptacyclo[14.10.2.02,11.03,8.012,28.019,27.020,25]octacosa-1(26),2(11),3,5,7,9,12,14,16(28),17,19(27),20,22,24-tetradecaene
CID 15820922
decacyclo[20.12.0.02,11.03,8.04,33.012,21.015,20.019,24.023,28.029,34]tetratriaconta-1,3(8),4,6,9,11,13,15(20),16,18,21,23,25,27,29,31,33-heptadecaene;heptacyclo[12.12.0.02,11.03,8.04,25.015,20.021,26]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21(26),22,24-tridecaene;heptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene;heptacyclo[15.7.1.12,6.03,16.04,13.05,10.021,25]hexacosa-1(24),2(26),3(16),4(13),5(10),6,8,11,14,17,19,21(25),22-tridecaene;heptacyclo[16.8.0.02,11.03,8.04,25.012,17.021,26]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21(26),22,24-tridecaene;heptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(26),2,4,6,8,10,12,14,16(28),17,19(27),20,22,24-tetradecaene;heptacyclo[16.12.0.02,15.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene;nonacyclo[16.12.0.02,15.03,12.04,9.05,30.06,27.020,29.023,28]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21,23(28),24,26,29-pentadecaene;octacyclo[14.10.2.02,15.03,12.04,9.05,26.020,28.023,27]octacosa-1(26),2(15),3(12),4(9),5,7,10,13,16,18,20(28),21,23(27),24-tetradecaene;octacyclo[14.10.2.27,10.02,15.03,8.09,14.020,28.023,27]triaconta-1(26),2(15),3,5,7,9,11,13,16,18,20(28),21,23(27),24,29-pentadecaene
CID 163503636

Frequently Asked Questions

What is the IUPAC name of nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione?
The IUPAC name of nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione (CID 177421008) is nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione.
What is the SMILES notation for nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione?
The canonical SMILES for nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione is O=c1cc2c3ccc4cc5ccccc5c5c(=O)cc(c6ccc7c8ccccc8cc1c7c26)c3c45.
What is the InChIKey of nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione?
The InChIKey is QCLJNUFBOAZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16O2/c35-28-15-25-23-10-9-19-13-17-5-2-4-8-21(17)34-29(36)16-26(31(23)30(19)34)24-12-11-22-20-7-3-1-6-18(20)14-27(28)33(22)32(24)25/h1-16H.
What are the key properties of nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione?
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione has a molecular weight of 456.50 g/mol, XLogP of 7.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2,4,6,8,10,12,15,17(31),18,20,22,24,26,28(32),33-hexadecaene-14,29-dione is sourced from PubChem (CID 177421008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).