9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione

C80H56O4 — CID 56620359

IUPAC9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
SMILESCc1ccc2c(c1)C(=O)c1c(C)cc3c4c(C)cc5c6c(c(C)cc(c7c(C)cc-2c1c37)c64)C(=O)c1cc(C)ccc1-5.Cc1ccc2c(c1)C(=O)c1c(C)cc3c4cc(C)c5c6c(cc(C)c(c7c(C)cc-2c1c37)c64)-c1ccc(C)cc1C5=O
InChIInChI=1S/2C40H28O2/c1-17-7-9-23-25-13-19(3)31-32-20(4)14-26-24-10-8-18(2)12-30(24)40(42)34-22(6)16-28(36(32)38(26)34)27-15-21(5)33(37(25)35(27)31)39(41)29(23)11-17;1-17-7-9-23-25-13-19(3)31-30-16-22(6)34-36-26(24-10-8-18(2)12-28(24)40(34)42)14-20(4)32(38(30)36)29-15-21(5)33(35(25)37(29)31)39(41)27(23)11-17/h2*7-16H,1-6H3
InChIKeyNCFMXIUUXBLKBR-UHFFFAOYSA-N
MW1081.32 g/mol
LogP20.02
Rot. Bonds

About 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione

9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione (PubChem CID 56620359) has the molecular formula C80H56O4 and a molecular weight of 1081.32 g/mol. Its IUPAC name is 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione.

Molecular Properties

Compound Name9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
PubChem CID56620359
Molecular FormulaC80H56O4
Molecular Weight1081.32 g/mol
Exact Mass1080.42
IUPAC Name9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione
SMILESCc1ccc2c(c1)C(=O)c1c(C)cc3c4c(C)cc5c6c(c(C)cc(c7c(C)cc-2c1c37)c64)C(=O)c1cc(C)ccc1-5.Cc1ccc2c(c1)C(=O)c1c(C)cc3c4cc(C)c5c6c(cc(C)c(c7c(C)cc-2c1c37)c64)-c1ccc(C)cc1C5=O
InChIInChI=1S/2C40H28O2/c1-17-7-9-23-25-13-19(3)31-32-20(4)14-26-24-10-8-18(2)12-30(24)40(42)34-22(6)16-28(36(32)38(26)34)27-15-21(5)33(37(25)35(27)31)39(41)29(23)11-17;1-17-7-9-23-25-13-19(3)31-30-16-22(6)34-36-26(24-10-8-18(2)12-28(24)40(34)42)14-20(4)32(38(30)36)29-15-21(5)33(35(25)37(29)31)39(41)27(23)11-17/h2*7-16H,1-6H3
InChIKeyNCFMXIUUXBLKBR-UHFFFAOYSA-N
XLogP20.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.32
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione with MolForge

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Related Compounds

1,2,4,7-tetramethylanthracene-9,10-dione
CID 23454169
2-ethyl-1,3,7-trimethylfluoren-9-one
CID 101404814
1,7-dimethylfluoren-9-one;3-methoxy-2,3-dimethylbutan-2-ol
CID 142508959
1-amino-3,7-dimethylfluoren-9-one
CID 15447110
1,7-dimethylphenanthrene-9,10-dione;ethane
CID 54539649
(2-acetyl-3,6-dimethyl-9,10-dioxoanthracen-1-yl) acetate
CID 10125866
2-methyl-7-sulfanylfluoren-9-one
CID 148861091
1,4-dihydroxy-2,7-dimethylanthracene-9,10-dione
CID 102313508
2-methoxy-6-methylfluoren-9-one
CID 169198654
1-amino-4-chloro-2,6-dimethylanthracene-9,10-dione
CID 70527047
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380
6-methyl-9,10-dioxoanthracene-1-carbonitrile
CID 170189874

Frequently Asked Questions

What is the IUPAC name of 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione?
The IUPAC name of 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione (CID 56620359) is 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione.
What is the SMILES notation for 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione?
The canonical SMILES for 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione is Cc1ccc2c(c1)C(=O)c1c(C)cc3c4c(C)cc5c6c(c(C)cc(c7c(C)cc-2c1c37)c64)C(=O)c1cc(C)ccc1-5.Cc1ccc2c(c1)C(=O)c1c(C)cc3c4cc(C)c5c6c(cc(C)c(c7c(C)cc-2c1c37)c64)-c1ccc(C)cc1C5=O.
What is the InChIKey of 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione?
The InChIKey is NCFMXIUUXBLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H28O2/c1-17-7-9-23-25-13-19(3)31-32-20(4)14-26-24-10-8-18(2)12-30(24)40(42)34-22(6)16-28(36(32)38(26)34)27-15-21(5)33(37(25)35(27)31)39(41)29(23)11-17;1-17-7-9-23-25-13-19(3)31-30-16-22(6)34-36-26(24-10-8-18(2)12-28(24)40(34)42)14-20(4)32(38(30)36)29-15-21(5)33(35(25)37(29)31)39(41)27(23)11-17/h2*7-16H,1-6H3.
What are the key properties of 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione?
9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione has a molecular weight of 1081.32 g/mol, XLogP of 20.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,14,18,24,29,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(31),2(34),3(16),4(13),5(33),6(11),7,9,14,17,19,21(26),22,24,28(32),29-hexadecaene-12,27-dione;9,14,19,24,30,34-hexamethylnonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6(11),7,9,14,17(31),18,20(32),22(27),23,25,28-hexadecaene-12,21-dione is sourced from PubChem (CID 56620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).