dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate

C45H24Cl4F2K2O7 — CID 161067534

IUPACdipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate
SMILESClc1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(Cl)ccc14.O=CO[O-].Oc1cc2cc(-c3ccc(Cl)cc3F)c(O)cc2cc1-c1ccc(Cl)cc1F.[H-].[K+].[K+]
InChIInChI=1S/C22H12Cl2F2O2.C22H10Cl2O2.CH2O3.2K.H/c23-13-1-3-15(19(25)9-13)17-5-11-8-22(28)18(6-12(11)7-21(17)27)16-4-2-14(24)10-20(16)26;23-13-1-3-15-17-5-11-8-20-18(16-4-2-14(24)10-22(16)26-20)6-12(11)7-19(17)25-21(15)9-13;2-1-4-3;;;/h1-10,27-28H;1-10H;1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyQQUPZIXQUNDUSE-UHFFFAOYSA-M
MW934.68 g/mol
LogP7.67
Rot. Bonds3

About dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate

dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate (PubChem CID 161067534) has the molecular formula C45H24Cl4F2K2O7 and a molecular weight of 934.68 g/mol. Its IUPAC name is dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate
PubChem CID161067534
Molecular FormulaC45H24Cl4F2K2O7
Molecular Weight934.68 g/mol
Exact Mass931.95
IUPAC Namedipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate
SMILESClc1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(Cl)ccc14.O=CO[O-].Oc1cc2cc(-c3ccc(Cl)cc3F)c(O)cc2cc1-c1ccc(Cl)cc1F.[H-].[K+].[K+]
InChIInChI=1S/C22H12Cl2F2O2.C22H10Cl2O2.CH2O3.2K.H/c23-13-1-3-15(19(25)9-13)17-5-11-8-22(28)18(6-12(11)7-21(17)27)16-4-2-14(24)10-20(16)26;23-13-1-3-15-17-5-11-8-20-18(16-4-2-14(24)10-22(16)26-20)6-12(11)7-19(17)25-21(15)9-13;2-1-4-3;;;/h1-10,27-28H;1-10H;1,3H;;;/q;;;2*+1;-1/p-1
InChIKeyQQUPZIXQUNDUSE-UHFFFAOYSA-M
XLogP7.67
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.68
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate with MolForge

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Related Compounds

dipotassium;1,4-dibromo-2,5-difluorobenzene;3-[2,5-difluoro-4-(3-hydroxynaphthalen-2-yl)phenyl]naphthalen-2-ol;2-[2,5-difluoro-4-(3-methoxynaphthalen-2-yl)phenyl]-3-methoxynaphthalene;14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene;hydride;(3-methoxynaphthalen-2-yl)boronic acid;oxido formate;tribromoborane
CID 158844490
4-chloro-2-(4-chloro-2-fluorophenyl)phenol
CID 83130792
CID 160503051
CID 160503051
2,7-bis(4-chloro-2-fluorophenyl)-3,6-dimethoxynaphthalene;3,6-bis(4-chloro-2-fluorophenyl)naphthalene-2,7-diol;dichloromethane;tribromoborane
CID 163765354
3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran
CID 139574666
14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
CID 144582613
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
2-(7-chlorodibenzofuran-1-yl)naphthalene-1,3-diol
CID 162700640
4-tert-butyl-N-(4-tert-butylphenyl)aniline;7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7-N,7-N,19-N,19-N-tetrakis(4-tert-butylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 160571824
7-chlorodibenzofuran-1-carbaldehyde
CID 177081256
3-(4-bromophenyl)-7-chlorodibenzofuran
CID 155763681

Frequently Asked Questions

What is the IUPAC name of dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate?
The IUPAC name of dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate (CID 161067534) is dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate.
What is the SMILES notation for dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate?
The canonical SMILES for dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate is Clc1ccc2c(c1)oc1cc3cc4c(cc3cc12)oc1cc(Cl)ccc14.O=CO[O-].Oc1cc2cc(-c3ccc(Cl)cc3F)c(O)cc2cc1-c1ccc(Cl)cc1F.[H-].[K+].[K+].
What is the InChIKey of dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate?
The InChIKey is QQUPZIXQUNDUSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H12Cl2F2O2.C22H10Cl2O2.CH2O3.2K.H/c23-13-1-3-15(19(25)9-13)17-5-11-8-22(28)18(6-12(11)7-21(17)27)16-4-2-14(24)10-20(16)26;23-13-1-3-15-17-5-11-8-20-18(16-4-2-14(24)10-22(16)26-20)6-12(11)7-19(17)25-21(15)9-13;2-1-4-3;;;/h1-10,27-28H;1-10H;1,3H;;;/q;;;2*+1;-1/p-1.
What are the key properties of dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate?
dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate has a molecular weight of 934.68 g/mol, XLogP of 7.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3,7-bis(4-chloro-2-fluorophenyl)naphthalene-2,6-diol;7,19-dichloro-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene;hydride;oxido formate is sourced from PubChem (CID 161067534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).