4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium

C108H74BClN6O2U — CID 161394772

IUPAC4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium
SMILESCC1(C)OB(c2ccc(-c3cccc4cccnc34)nc2)OC1(C)C.Clc1cc(-c2cc3ccccc3c3ccccc23)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12.[U].c1ccc2cc(-c3cc4c(-c5ccc(-c6cccc7cccnc67)nc5)cc(-c5cc6ccccc6c6ccccc56)nc4c4ccccc34)ccc2c1
InChIInChI=1S/C51H31N3.C37H22ClN.C20H21BN2O2.U/c1-2-12-34-27-36(23-22-32(34)11-1)44-29-47-45(37-24-25-48(53-31-37)43-21-9-14-33-15-10-26-52-50(33)43)30-49(54-51(47)42-20-8-7-19-41(42)44)46-28-35-13-3-4-16-38(35)39-17-5-6-18-40(39)46;38-35-22-36(33-20-25-11-3-4-12-27(25)28-13-5-6-14-29(28)33)39-37-31-16-8-7-15-30(31)32(21-34(35)37)26-18-17-23-9-1-2-10-24(23)19-26;1-19(2)20(3,4)25-21(24-19)15-10-11-17(23-13-15)16-9-5-7-14-8-6-12-22-18(14)16;/h1-31H;1-22H;5-13H,1-4H3;
InChIKeyVTLMPUPKZIJGHS-UHFFFAOYSA-N
MW1772.11 g/mol
LogP27.89
Rot. Bonds8

About 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium

4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium (PubChem CID 161394772) has the molecular formula C108H74BClN6O2U and a molecular weight of 1772.11 g/mol. Its IUPAC name is 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium.

Molecular Properties

Compound Name4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium
PubChem CID161394772
Molecular FormulaC108H74BClN6O2U
Molecular Weight1772.11 g/mol
Exact Mass1770.62
IUPAC Name4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium
SMILESCC1(C)OB(c2ccc(-c3cccc4cccnc34)nc2)OC1(C)C.Clc1cc(-c2cc3ccccc3c3ccccc23)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12.[U].c1ccc2cc(-c3cc4c(-c5ccc(-c6cccc7cccnc67)nc5)cc(-c5cc6ccccc6c6ccccc56)nc4c4ccccc34)ccc2c1
InChIInChI=1S/C51H31N3.C37H22ClN.C20H21BN2O2.U/c1-2-12-34-27-36(23-22-32(34)11-1)44-29-47-45(37-24-25-48(53-31-37)43-21-9-14-33-15-10-26-52-50(33)43)30-49(54-51(47)42-20-8-7-19-41(42)44)46-28-35-13-3-4-16-38(35)39-17-5-6-18-40(39)46;38-35-22-36(33-20-25-11-3-4-12-27(25)28-13-5-6-14-29(28)33)39-37-31-16-8-7-15-30(31)32(21-34(35)37)26-18-17-23-9-1-2-10-24(23)19-26;1-19(2)20(3,4)25-21(24-19)15-10-11-17(23-13-15)16-9-5-7-14-8-6-12-22-18(14)16;/h1-31H;1-22H;5-13H,1-4H3;
InChIKeyVTLMPUPKZIJGHS-UHFFFAOYSA-N
XLogP27.89
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001772.11
LogP ≤ 527.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium with MolForge

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Related Compounds

2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
8-[5-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]-2-pyridinyl]quinoline
CID 118372253
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,10-phenanthroline
CID 58340445
4-chloro-2-phenyl-1,10-phenanthroline;methane;palladium;2-phenyl-4-[4-[10-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]anthracen-9-yl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-[10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 160710132
4-chloro-2,6-dinaphthalen-2-ylquinoline;2,6-dinaphthalen-2-yl-4-(3-pyridin-3-ylphenyl)quinoline;methane;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 159015553
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
8-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 148814479
2,4-bis(4-quinolin-8-ylphenyl)quinazoline;2,4-dichloroquinazoline;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 158569015
2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
CID 159306062
8-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]phenyl]quinoline
CID 58322624
2-[4-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 154660215
2-pyridin-3-yl-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium?
The IUPAC name of 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium (CID 161394772) is 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium.
What is the SMILES notation for 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium?
The canonical SMILES for 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium is CC1(C)OB(c2ccc(-c3cccc4cccnc34)nc2)OC1(C)C.Clc1cc(-c2cc3ccccc3c3ccccc23)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12.[U].c1ccc2cc(-c3cc4c(-c5ccc(-c6cccc7cccnc67)nc5)cc(-c5cc6ccccc6c6ccccc56)nc4c4ccccc34)ccc2c1.
What is the InChIKey of 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium?
The InChIKey is VTLMPUPKZIJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3.C37H22ClN.C20H21BN2O2.U/c1-2-12-34-27-36(23-22-32(34)11-1)44-29-47-45(37-24-25-48(53-31-37)43-21-9-14-33-15-10-26-52-50(33)43)30-49(54-51(47)42-20-8-7-19-41(42)44)46-28-35-13-3-4-16-38(35)39-17-5-6-18-40(39)46;38-35-22-36(33-20-25-11-3-4-12-27(25)28-13-5-6-14-29(28)33)39-37-31-16-8-7-15-30(31)32(21-34(35)37)26-18-17-23-9-1-2-10-24(23)19-26;1-19(2)20(3,4)25-21(24-19)15-10-11-17(23-13-15)16-9-5-7-14-8-6-12-22-18(14)16;/h1-31H;1-22H;5-13H,1-4H3;.
What are the key properties of 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium?
4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium has a molecular weight of 1772.11 g/mol, XLogP of 27.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-naphthalen-2-yl-2-phenanthren-9-ylbenzo[h]quinoline;6-naphthalen-2-yl-2-phenanthren-9-yl-4-(6-quinolin-8-yl-3-pyridinyl)benzo[h]quinoline;8-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]quinoline;uranium is sourced from PubChem (CID 161394772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).