7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione

C118H126N20O10 — CID 157409490

IUPAC7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione
SMILESCCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3cccc(C)c3)c2cc1C.Cc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3ccc(C(C)C)cc32)cc1
InChIInChI=1S/3C24H26N4O2.2C23H24N4O2/c3*1-4-6-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)12-5-7-17-10-8-15(2)9-11-17;1-14(2)17-10-11-18-19(13-17)27(12-4-5-16-8-6-15(3)7-9-16)21-20(24-18)22(28)26-23(29)25-21;1-4-17-13-18-19(12-15(17)3)27(10-6-9-16-8-5-7-14(2)11-16)21-20(24-18)22(28)26-23(29)25-21/h3*8-11,13-14H,4-7,12H2,1-3H3,(H,27,29,30);6-11,13-14H,4-5,12H2,1-3H3,(H,26,28,29);5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,26,28,29)
InChIKeyBOCLSJYNBQMMAY-UHFFFAOYSA-N
MW1984.44 g/mol
LogP18.41
Rot. Bonds28

About 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione

7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione (PubChem CID 157409490) has the molecular formula C118H126N20O10 and a molecular weight of 1984.44 g/mol. Its IUPAC name is 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione
PubChem CID157409490
Molecular FormulaC118H126N20O10
Molecular Weight1984.44 g/mol
Exact Mass1983.00
IUPAC Name7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione
SMILESCCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3cccc(C)c3)c2cc1C.Cc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3ccc(C(C)C)cc32)cc1
InChIInChI=1S/3C24H26N4O2.2C23H24N4O2/c3*1-4-6-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)12-5-7-17-10-8-15(2)9-11-17;1-14(2)17-10-11-18-19(13-17)27(12-4-5-16-8-6-15(3)7-9-16)21-20(24-18)22(28)26-23(29)25-21;1-4-17-13-18-19(12-15(17)3)27(10-6-9-16-8-5-7-14(2)11-16)21-20(24-18)22(28)26-23(29)25-21/h3*8-11,13-14H,4-7,12H2,1-3H3,(H,27,29,30);6-11,13-14H,4-5,12H2,1-3H3,(H,26,28,29);5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,26,28,29)
InChIKeyBOCLSJYNBQMMAY-UHFFFAOYSA-N
XLogP18.41
TPSA403.20 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.44
LogP ≤ 518.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione with MolForge

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Related Compounds

7-methyl-10-[3-(3-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione
CID 88899615
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 176777977
7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
CID 157467012
10-[3-(3-methoxyphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 53491754
10-[3-(4-fluorophenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
CID 53492166
3-[10-[3-(4-chlorophenyl)propyl]-7-methyl-2,4-dioxobenzo[g]pteridin-8-yl]propanamide
CID 89396216
7-tert-butyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 89398754
10-[3-(3-fluoro-5-methylphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88899989
8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53491690
8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53492508

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione (CID 157409490) is 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione is CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCCc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3cccc(C)c3)c2cc1C.Cc1ccc(CCCn2c3nc(=O)[nH]c(=O)c-3nc3ccc(C(C)C)cc32)cc1.
What is the InChIKey of 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione?
The InChIKey is BOCLSJYNBQMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H26N4O2.2C23H24N4O2/c3*1-4-6-18-14-20-19(13-16(18)3)25-21-22(26-24(30)27-23(21)29)28(20)12-5-7-17-10-8-15(2)9-11-17;1-14(2)17-10-11-18-19(13-17)27(12-4-5-16-8-6-15(3)7-9-16)21-20(24-18)22(28)26-23(29)25-21;1-4-17-13-18-19(12-15(17)3)27(10-6-9-16-8-5-7-14(2)11-16)21-20(24-18)22(28)26-23(29)25-21/h3*8-11,13-14H,4-7,12H2,1-3H3,(H,27,29,30);6-11,13-14H,4-5,12H2,1-3H3,(H,26,28,29);5,7-8,11-13H,4,6,9-10H2,1-3H3,(H,26,28,29).
What are the key properties of 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione?
7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione has a molecular weight of 1984.44 g/mol, XLogP of 18.41, 28 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;tris(7-methyl-10-[3-(4-methylphenyl)propyl]-8-propylbenzo[g]pteridine-2,4-dione);10-[3-(4-methylphenyl)propyl]-8-propan-2-ylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 157409490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).