2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc

C130H109N10O10SZn- — CID 157254616

About 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc

2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc (PubChem CID 157254616) has the molecular formula C130H109N10O10SZn- and a molecular weight of 2068.82 g/mol. Its IUPAC name is 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc.

Molecular Properties

• Compound Name: 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc
• PubChem CID: 157254616
• Molecular Formula: C130H109N10O10SZn-
• Molecular Weight: 2068.82 g/mol
• Exact Mass: 2065.73
• IUPAC Name: 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc
• SMILES: CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.CN1c2cc3c(cc2C(=O)C2C=CC=CC21)N(C)C1C=CC=CC1C3=O.Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3ccccc23)c1.Oc1ccccc1-c1[c-]c2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[Zn]
• InChI: InChI=1S/C40H32N2.C22H20N2O2.C21H21N3O2.C20H18N2O2S.C14H9O2.C13H9NO2.Zn/c1-29-15-13-21-33(27-29)41(31-17-5-3-6-18-31)39-35-23-9-11-25-37(35)40(38-26-12-10-24-36(38)39)42(32-19-7-4-8-20-32)34-22-14-16-30(2)28-34;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h3-28H,1-2H3;3-14,17-18H,1-2H3;6-13H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3;2*1-8,15H;/q;;;;-1
• InChIKey: XSSHOAXEZPFMNG-UHFFFAOYSA-N
• XLogP: 30.63
• TPSA: 224.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.82
LogP ≤ 5	30.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc?

The IUPAC name of 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc (CID 157254616) is 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc.

What is the SMILES notation for 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc?

The canonical SMILES for 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc is CCN(CC)c1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1.CCN(CC)c1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1.CN1c2cc3c(cc2C(=O)C2C=CC=CC21)N(C)C1C=CC=CC1C3=O.Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3ccccc23)c1.Oc1ccccc1-c1[c-]c2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[Zn].

What is the InChIKey of 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc?

The InChIKey is XSSHOAXEZPFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2.C22H20N2O2.C21H21N3O2.C20H18N2O2S.C14H9O2.C13H9NO2.Zn/c1-29-15-13-21-33(27-29)41(31-17-5-3-6-18-31)39-35-23-9-11-25-37(35)40(38-26-12-10-24-36(38)39)42(32-19-7-4-8-20-32)34-22-14-16-30(2)28-34;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3;1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h3-28H,1-2H3;3-14,17-18H,1-2H3;6-13H,4-5H2,1-3H3;5-12H,3-4H2,1-2H3;2*1-8,15H;/q;;;;-1;;.

What are the key properties of 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc?

2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc has a molecular weight of 2068.82 g/mol, XLogP of 30.63, 16 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-1-benzofuran-3-id-2-yl)phenol;3-(1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;2-(1,3-benzoxazol-2-yl)phenol;9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one;5,12-dimethyl-4a,7a,11a,14a-tetrahydroquinolino[2,3-b]acridine-7,14-dione;zinc is sourced from PubChem (CID 157254616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).