1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline

C101H91N11O2 — CID 158402626

IUPAC1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1cc(C)c2ccc3c(C)cc(C)nc3c2n1.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.Cc1ccc2c(C)c(C)c3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2cccnc2c1C.Cc1ccnc2c1ccc1c(C)ccnc12
InChIInChI=1S/2C16H16N2.C16H12O2.3C14H12N2.C11H11N/c1-9-5-7-13-11(3)12(4)14-8-6-10(2)18-16(14)15(13)17-9;1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-8-5-6-10-4-3-7-12-11(10)9(8)2/h2*5-8H,1-4H3;3-8H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3
InChIKeyGYHFGIXBKDNYSA-UHFFFAOYSA-N
MW1490.91 g/mol
LogP24.16
Rot. Bonds

About 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline

1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline (PubChem CID 158402626) has the molecular formula C101H91N11O2 and a molecular weight of 1490.91 g/mol. Its IUPAC name is 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline.

Molecular Properties

Compound Name1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline
PubChem CID158402626
Molecular FormulaC101H91N11O2
Molecular Weight1490.91 g/mol
Exact Mass1489.74
IUPAC Name1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline
SMILESCc1c(C)c2cccnc2c2ncccc12.Cc1cc(C)c2ccc3c(C)cc(C)nc3c2n1.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.Cc1ccc2c(C)c(C)c3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2cccnc2c1C.Cc1ccnc2c1ccc1c(C)ccnc12
InChIInChI=1S/2C16H16N2.C16H12O2.3C14H12N2.C11H11N/c1-9-5-7-13-11(3)12(4)14-8-6-10(2)18-16(14)15(13)17-9;1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-8-5-6-10-4-3-7-12-11(10)9(8)2/h2*5-8H,1-4H3;3-8H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3
InChIKeyGYHFGIXBKDNYSA-UHFFFAOYSA-N
XLogP24.16
TPSA175.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.91
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline?
The IUPAC name of 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline (CID 158402626) is 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline.
What is the SMILES notation for 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline?
The canonical SMILES for 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline is Cc1c(C)c2cccnc2c2ncccc12.Cc1cc(C)c2ccc3c(C)cc(C)nc3c2n1.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.Cc1ccc2c(C)c(C)c3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2cccnc2c1C.Cc1ccnc2c1ccc1c(C)ccnc12.
What is the InChIKey of 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline?
The InChIKey is GYHFGIXBKDNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N2.C16H12O2.3C14H12N2.C11H11N/c1-9-5-7-13-11(3)12(4)14-8-6-10(2)18-16(14)15(13)17-9;1-9-7-11(3)17-15-13(9)5-6-14-10(2)8-12(4)18-16(14)15;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;1-8-5-6-10-4-3-7-12-11(10)9(8)2/h2*5-8H,1-4H3;3-8H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3.
What are the key properties of 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline?
1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline has a molecular weight of 1490.91 g/mol, XLogP of 24.16, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline is sourced from PubChem (CID 158402626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).