N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)

C94H86N8O18S — CID 161077240

IUPACN-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O.CC(C)c1ccc(C(=O)c2cc(NS(=O)(=O)C(C)C)c3c(c2N)C(=O)c2ccccc2C3=O)cc1.Nc1c2c(=O)c3ccccc3c(=O)c2c(N)c2c(=O)n(-c3ccccc3)c(=O)c12.O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
InChIInChI=1S/C27H26N2O5S.C22H13N3O4.C20H12N2O6.C17H15NO3.2C4H10/c1-14(2)16-9-11-17(12-10-16)25(30)20-13-21(29-35(33,34)15(3)4)22-23(24(20)28)27(32)19-8-6-5-7-18(19)26(22)31;23-17-13-14(20(27)12-9-5-4-8-11(12)19(13)26)18(24)16-15(17)21(28)25(22(16)29)10-6-2-1-3-7-10;23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25;1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21;2*1-4(2)3/h5-15,29H,28H2,1-4H3;1-9H,23-24H2;1-9,21,23-24H;3-9,18-19H,1-2H3;2*4H,1-3H3
InChIKeyUFKZVMGYIFUGFZ-UHFFFAOYSA-N
MW1647.83 g/mol
LogP15.80
Rot. Bonds12

About N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)

N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) (PubChem CID 161077240) has the molecular formula C94H86N8O18S and a molecular weight of 1647.83 g/mol. Its IUPAC name is N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane).

Molecular Properties

Compound NameN-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)
PubChem CID161077240
Molecular FormulaC94H86N8O18S
Molecular Weight1647.83 g/mol
Exact Mass1646.58
IUPAC NameN-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)
SMILESCC(C)C.CC(C)C.CC(C)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O.CC(C)c1ccc(C(=O)c2cc(NS(=O)(=O)C(C)C)c3c(c2N)C(=O)c2ccccc2C3=O)cc1.Nc1c2c(=O)c3ccccc3c(=O)c2c(N)c2c(=O)n(-c3ccccc3)c(=O)c12.O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
InChIInChI=1S/C27H26N2O5S.C22H13N3O4.C20H12N2O6.C17H15NO3.2C4H10/c1-14(2)16-9-11-17(12-10-16)25(30)20-13-21(29-35(33,34)15(3)4)22-23(24(20)28)27(32)19-8-6-5-7-18(19)26(22)31;23-17-13-14(20(27)12-9-5-4-8-11(12)19(13)26)18(24)16-15(17)21(28)25(22(16)29)10-6-2-1-3-7-10;23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25;1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21;2*1-4(2)3/h5-15,29H,28H2,1-4H3;1-9H,23-24H2;1-9,21,23-24H;3-9,18-19H,1-2H3;2*4H,1-3H3
InChIKeyUFKZVMGYIFUGFZ-UHFFFAOYSA-N
XLogP15.80
TPSA444.82 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001647.83
LogP ≤ 515.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)?
The IUPAC name of N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) (CID 161077240) is N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane).
What is the SMILES notation for N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)?
The canonical SMILES for N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) is CC(C)C.CC(C)C.CC(C)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O.CC(C)c1ccc(C(=O)c2cc(NS(=O)(=O)C(C)C)c3c(c2N)C(=O)c2ccccc2C3=O)cc1.Nc1c2c(=O)c3ccccc3c(=O)c2c(N)c2c(=O)n(-c3ccccc3)c(=O)c12.O=C1c2c(O)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21.
What is the InChIKey of N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)?
The InChIKey is UFKZVMGYIFUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S.C22H13N3O4.C20H12N2O6.C17H15NO3.2C4H10/c1-14(2)16-9-11-17(12-10-16)25(30)20-13-21(29-35(33,34)15(3)4)22-23(24(20)28)27(32)19-8-6-5-7-18(19)26(22)31;23-17-13-14(20(27)12-9-5-4-8-11(12)19(13)26)18(24)16-15(17)21(28)25(22(16)29)10-6-2-1-3-7-10;23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25;1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21;2*1-4(2)3/h5-15,29H,28H2,1-4H3;1-9H,23-24H2;1-9,21,23-24H;3-9,18-19H,1-2H3;2*4H,1-3H3.
What are the key properties of N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane)?
N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) has a molecular weight of 1647.83 g/mol, XLogP of 15.80, 12 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-9,10-dioxo-3-(4-propan-2-ylbenzoyl)anthracen-1-yl]propane-2-sulfonamide;1-anilino-4,5-dihydroxy-8-nitroanthracene-9,10-dione;4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;1-hydroxy-4-(propan-2-ylamino)anthracene-9,10-dione;bis(2-methylpropane) is sourced from PubChem (CID 161077240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).