4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium

C42H26O5U2-2 — CID 161006179

IUPAC4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium
SMILESCc1c(O)[c-]c(O)c2c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3c(O)[c-]c(O)c(C)c3c(-c3ccc4ccccc4c3)c12.[U].[U]
InChIInChI=1S/C42H26O5.2U/c1-21-31(43)19-33(45)40-36(21)38(26-12-11-23-7-3-4-9-25(23)17-26)37-22(2)32(44)20-34(46)41(37)39(40)27-14-15-29-30-16-13-24-8-5-6-10-28(24)42(30)47-35(29)18-27;;/h3-18,43-46H,1-2H3;;/q-2;;
InChIKeyHDKFDRAKHALGEI-UHFFFAOYSA-N
MW1086.72 g/mol
LogP10.57
Rot. Bonds2

About 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium

4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium (PubChem CID 161006179) has the molecular formula C42H26O5U2-2 and a molecular weight of 1086.72 g/mol. Its IUPAC name is 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium.

Molecular Properties

Compound Name4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium
PubChem CID161006179
Molecular FormulaC42H26O5U2-2
Molecular Weight1086.72 g/mol
Exact Mass1086.28
IUPAC Name4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium
SMILESCc1c(O)[c-]c(O)c2c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3c(O)[c-]c(O)c(C)c3c(-c3ccc4ccccc4c3)c12.[U].[U]
InChIInChI=1S/C42H26O5.2U/c1-21-31(43)19-33(45)40-36(21)38(26-12-11-23-7-3-4-9-25(23)17-26)37-22(2)32(44)20-34(46)41(37)39(40)27-14-15-29-30-16-13-24-8-5-6-10-28(24)42(30)47-35(29)18-27;;/h3-18,43-46H,1-2H3;;/q-2;;
InChIKeyHDKFDRAKHALGEI-UHFFFAOYSA-N
XLogP10.57
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.72
LogP ≤ 510.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433768
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746
6-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426775
9-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158942554
9-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 118402665
9-[10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487734
9-[10-[4-(2-triphenylen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174273669
9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426855
18-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190099
9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163785389
9-(1,2,3,4,5,6,7,8-octadeuterio-10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 153436552

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium?
The IUPAC name of 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium (CID 161006179) is 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium.
What is the SMILES notation for 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium?
The canonical SMILES for 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium is Cc1c(O)[c-]c(O)c2c(-c3ccc4c(c3)oc3c5ccccc5ccc43)c3c(O)[c-]c(O)c(C)c3c(-c3ccc4ccccc4c3)c12.[U].[U].
What is the InChIKey of 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium?
The InChIKey is HDKFDRAKHALGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O5.2U/c1-21-31(43)19-33(45)40-36(21)38(26-12-11-23-7-3-4-9-25(23)17-26)37-22(2)32(44)20-34(46)41(37)39(40)27-14-15-29-30-16-13-24-8-5-6-10-28(24)42(30)47-35(29)18-27;;/h3-18,43-46H,1-2H3;;/q-2;;.
What are the key properties of 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium?
4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium has a molecular weight of 1086.72 g/mol, XLogP of 10.57, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-10-naphthalen-2-yl-9-naphtho[1,2-b][1]benzofuran-9-yl-2,7-dihydroanthracene-2,7-diide-1,3,6,8-tetrol;uranium is sourced from PubChem (CID 161006179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).