acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride

C116H81BrCl7IO19S — CID 159524607

IUPACacetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride
SMILESBrc1ccccc1-c1ccccc1.CC(=O)O.Cl.Clc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.O=C(O)c1cc(Cl)ccc1I.O=C(O)c1cc(Cl)ccc1Oc1ccccc1.O=S(=O)(O)O.O=c1c2ccccc2oc2ccc(Cl)cc12.O=c1c2ccccc2oc2ccc(Cl)cc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2Oc2ccc(Cl)cc21.Oc1ccccc1
InChIInChI=1S/C25H17ClO2.C25H15ClO.C13H9ClO3.2C13H7ClO2.C12H9Br.C7H4ClIO2.C6H6O.C2H4O2.ClH.H2O4S/c26-18-14-15-24-22(16-18)25(27,21-12-6-7-13-23(21)28-24)20-11-5-4-10-19(20)17-8-2-1-3-9-17;26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25;14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10;2*14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-2-6(9)5(3-4)7(10)11;7-6-4-2-1-3-5-6;1-2(3)4;;1-5(2,3)4/h1-16,27H;1-15H;1-8H,(H,15,16);2*1-7H;1-9H;1-3H,(H,10,11);1-5,7H;1H3,(H,3,4);1H;(H2,1,2,3,4)
InChIKeyVIMFRWQPMUVNET-UHFFFAOYSA-N
MW2265.95 g/mol
LogP32.25
Rot. Bonds7

About acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride

acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride (PubChem CID 159524607) has the molecular formula C116H81BrCl7IO19S and a molecular weight of 2265.95 g/mol. Its IUPAC name is acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride.

Molecular Properties

Compound Nameacetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride
PubChem CID159524607
Molecular FormulaC116H81BrCl7IO19S
Molecular Weight2265.95 g/mol
Exact Mass2260.11
IUPAC Nameacetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride
SMILESBrc1ccccc1-c1ccccc1.CC(=O)O.Cl.Clc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.O=C(O)c1cc(Cl)ccc1I.O=C(O)c1cc(Cl)ccc1Oc1ccccc1.O=S(=O)(O)O.O=c1c2ccccc2oc2ccc(Cl)cc12.O=c1c2ccccc2oc2ccc(Cl)cc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2Oc2ccc(Cl)cc21.Oc1ccccc1
InChIInChI=1S/C25H17ClO2.C25H15ClO.C13H9ClO3.2C13H7ClO2.C12H9Br.C7H4ClIO2.C6H6O.C2H4O2.ClH.H2O4S/c26-18-14-15-24-22(16-18)25(27,21-12-6-7-13-23(21)28-24)20-11-5-4-10-19(20)17-8-2-1-3-9-17;26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25;14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10;2*14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-2-6(9)5(3-4)7(10)11;7-6-4-2-1-3-5-6;1-2(3)4;;1-5(2,3)4/h1-16,27H;1-15H;1-8H,(H,15,16);2*1-7H;1-9H;1-3H,(H,10,11);1-5,7H;1H3,(H,3,4);1H;(H2,1,2,3,4)
InChIKeyVIMFRWQPMUVNET-UHFFFAOYSA-N
XLogP32.25
TPSA315.07 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.95
LogP ≤ 532.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride with MolForge

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Related Compounds

1-bromo-2-phenylbenzene;ethane;hydron;14-(2-phenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol;spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene];tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-one
CID 161247327
2-[(2'-chloro-9,9'-spirobi[fluorene]-3-yl)oxy]benzoic acid
CID 164757649
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
1-bromo-2-phenylbenzene;9,15-dibromo-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-one;9,15-dibromo-12-(2-phenylphenyl)-23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-12-ol;methane
CID 158302770
1-bromo-2-phenylbenzene;12,18-dibromo-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-one;12,18-dibromo-15-(2-phenylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-ol
CID 157433927
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol
CID 153297690
lithium;4a,9a-dihydroxanthen-9-one;acetic acid;2-[2-(4-chlorobenzene-6-id-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol;2-(7-chlorospiro[fluorene-9,9'-xanthene]-4-yl)-4,6-diphenyl-1,3,5-triazine;methane
CID 157085879
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
9-(5-chloro-2-dibenzofuran-3-ylphenyl)-10,10-dimethylanthracen-9-ol
CID 142752896
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride?
The IUPAC name of acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride (CID 159524607) is acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride.
What is the SMILES notation for acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride?
The canonical SMILES for acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride is Brc1ccccc1-c1ccccc1.CC(=O)O.Cl.Clc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.O=C(O)c1cc(Cl)ccc1I.O=C(O)c1cc(Cl)ccc1Oc1ccccc1.O=S(=O)(O)O.O=c1c2ccccc2oc2ccc(Cl)cc12.O=c1c2ccccc2oc2ccc(Cl)cc12.OC1(c2ccccc2-c2ccccc2)c2ccccc2Oc2ccc(Cl)cc21.Oc1ccccc1.
What is the InChIKey of acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride?
The InChIKey is VIMFRWQPMUVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClO2.C25H15ClO.C13H9ClO3.2C13H7ClO2.C12H9Br.C7H4ClIO2.C6H6O.C2H4O2.ClH.H2O4S/c26-18-14-15-24-22(16-18)25(27,21-12-6-7-13-23(21)28-24)20-11-5-4-10-19(20)17-8-2-1-3-9-17;26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25;14-9-6-7-12(11(8-9)13(15)16)17-10-4-2-1-3-5-10;2*14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-2-6(9)5(3-4)7(10)11;7-6-4-2-1-3-5-6;1-2(3)4;;1-5(2,3)4/h1-16,27H;1-15H;1-8H,(H,15,16);2*1-7H;1-9H;1-3H,(H,10,11);1-5,7H;1H3,(H,3,4);1H;(H2,1,2,3,4).
What are the key properties of acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride?
acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride has a molecular weight of 2265.95 g/mol, XLogP of 32.25, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-bromo-2-phenylbenzene;5-chloro-2-iodobenzoic acid;5-chloro-2-phenoxybenzoic acid;2-chloro-9-(2-phenylphenyl)xanthen-9-ol;2'-chlorospiro[fluorene-9,9'-xanthene];bis(2-chloroxanthen-9-one);phenol;sulfuric acid;hydrochloride is sourced from PubChem (CID 159524607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).