anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium

C132H94Br8I3O15V- — CID 163954284

IUPACanthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium
SMILESCc1cc(C2(c3cc(C)c(O)c(Br)c3)c3ccccc3C(=O)c3ccccc32)cc(Br)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3C(=O)c3ccccc32)ccc1O.Cc1cccc(C)c1O.IC(I)I.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2C(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21.O=C1c2ccccc2C(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21.[CH3-].[V]
InChIInChI=1S/C28H20Br2O3.C28H22O3.C26H14Br4O3.C26H16Br2O3.C14H8O2.C8H10O.CHI3.CH3.V/c1-15-11-17(13-23(29)25(15)31)28(18-12-16(2)26(32)24(30)14-18)21-9-5-3-7-19(21)27(33)20-8-4-6-10-22(20)28;1-17-15-19(11-13-25(17)29)28(20-12-14-26(30)18(2)16-20)23-9-5-3-7-21(23)27(31)22-8-4-6-10-24(22)28;27-19-9-13(10-20(28)24(19)32)26(14-11-21(29)25(33)22(30)12-14)17-7-3-1-5-15(17)23(31)16-6-2-4-8-18(16)26;27-21-13-15(9-11-23(21)29)26(16-10-12-24(30)22(28)14-16)19-7-3-1-5-17(19)25(31)18-6-2-4-8-20(18)26;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-3-5-7(2)8(6)9;2-1(3)4;;/h3-14,31-32H,1-2H3;3-16,29-30H,1-2H3;1-12,32-33H;1-14,29-30H;1-8H;3-5,9H,1-2H3;1H;1H3;/q;;;;;;;-1;
InChIKeyYSPQDKUQLIQKIO-UHFFFAOYSA-N
MW2991.08 g/mol
LogP34.93
Rot. Bonds8

About anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium

anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium (PubChem CID 163954284) has the molecular formula C132H94Br8I3O15V- and a molecular weight of 2991.08 g/mol. Its IUPAC name is anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium.

Molecular Properties

Compound Nameanthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium
PubChem CID163954284
Molecular FormulaC132H94Br8I3O15V-
Molecular Weight2991.08 g/mol
Exact Mass2981.66
IUPAC Nameanthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium
SMILESCc1cc(C2(c3cc(C)c(O)c(Br)c3)c3ccccc3C(=O)c3ccccc32)cc(Br)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3C(=O)c3ccccc32)ccc1O.Cc1cccc(C)c1O.IC(I)I.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2C(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21.O=C1c2ccccc2C(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21.[CH3-].[V]
InChIInChI=1S/C28H20Br2O3.C28H22O3.C26H14Br4O3.C26H16Br2O3.C14H8O2.C8H10O.CHI3.CH3.V/c1-15-11-17(13-23(29)25(15)31)28(18-12-16(2)26(32)24(30)14-18)21-9-5-3-7-19(21)27(33)20-8-4-6-10-22(20)28;1-17-15-19(11-13-25(17)29)28(20-12-14-26(30)18(2)16-20)23-9-5-3-7-21(23)27(31)22-8-4-6-10-24(22)28;27-19-9-13(10-20(28)24(19)32)26(14-11-21(29)25(33)22(30)12-14)17-7-3-1-5-15(17)23(31)16-6-2-4-8-18(16)26;27-21-13-15(9-11-23(21)29)26(16-10-12-24(30)22(28)14-16)19-7-3-1-5-17(19)25(31)18-6-2-4-8-20(18)26;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-3-5-7(2)8(6)9;2-1(3)4;;/h3-14,31-32H,1-2H3;3-16,29-30H,1-2H3;1-12,32-33H;1-14,29-30H;1-8H;3-5,9H,1-2H3;1H;1H3;/q;;;;;;;-1;
InChIKeyYSPQDKUQLIQKIO-UHFFFAOYSA-N
XLogP34.93
TPSA284.49 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.08
LogP ≤ 534.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium 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 anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium?
The IUPAC name of anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium (CID 163954284) is anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium.
What is the SMILES notation for anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium?
The canonical SMILES for anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium is Cc1cc(C2(c3cc(C)c(O)c(Br)c3)c3ccccc3C(=O)c3ccccc32)cc(Br)c1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3C(=O)c3ccccc32)ccc1O.Cc1cccc(C)c1O.IC(I)I.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2C(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21.O=C1c2ccccc2C(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21.[CH3-].[V].
What is the InChIKey of anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium?
The InChIKey is YSPQDKUQLIQKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Br2O3.C28H22O3.C26H14Br4O3.C26H16Br2O3.C14H8O2.C8H10O.CHI3.CH3.V/c1-15-11-17(13-23(29)25(15)31)28(18-12-16(2)26(32)24(30)14-18)21-9-5-3-7-19(21)27(33)20-8-4-6-10-22(20)28;1-17-15-19(11-13-25(17)29)28(20-12-14-26(30)18(2)16-20)23-9-5-3-7-21(23)27(31)22-8-4-6-10-24(22)28;27-19-9-13(10-20(28)24(19)32)26(14-11-21(29)25(33)22(30)12-14)17-7-3-1-5-15(17)23(31)16-6-2-4-8-18(16)26;27-21-13-15(9-11-23(21)29)26(16-10-12-24(30)22(28)14-16)19-7-3-1-5-17(19)25(31)18-6-2-4-8-20(18)26;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-3-5-7(2)8(6)9;2-1(3)4;;/h3-14,31-32H,1-2H3;3-16,29-30H,1-2H3;1-12,32-33H;1-14,29-30H;1-8H;3-5,9H,1-2H3;1H;1H3;/q;;;;;;;-1;.
What are the key properties of anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium?
anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium has a molecular weight of 2991.08 g/mol, XLogP of 34.93, 8 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium is sourced from PubChem (CID 163954284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).