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

C87H68BClN4O2 — CID 159015553

IUPAC4-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
SMILESC.CC1(C)OB(c2cccc(-c3cccnc3)c2)OC1(C)C.Clc1cc(-c2ccc3ccccc3c2)nc2ccc(-c3ccc4ccccc4c3)cc12.c1cncc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)nc4ccc(-c5ccc6ccccc6c5)cc34)c2)c1
InChIInChI=1S/C40H26N2.C29H18ClN.C17H20BNO2.CH4/c1-3-9-29-21-32(16-14-27(29)7-1)33-18-19-39-38(24-33)37(34-12-5-11-31(22-34)36-13-6-20-41-26-36)25-40(42-39)35-17-15-28-8-2-4-10-30(28)23-35;30-27-18-29(25-12-10-20-6-2-4-8-22(20)16-25)31-28-14-13-24(17-26(27)28)23-11-9-19-5-1-3-7-21(19)15-23;1-16(2)17(3,4)21-18(20-16)15-9-5-7-13(11-15)14-8-6-10-19-12-14;/h1-26H;1-18H;5-12H,1-4H3;1H4
InChIKeyJTASCJGHYSAFBL-UHFFFAOYSA-N
MW1247.79 g/mol
LogP22.82
Rot. Bonds8

About 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

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 (PubChem CID 159015553) has the molecular formula C87H68BClN4O2 and a molecular weight of 1247.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159015553
Molecular FormulaC87H68BClN4O2
Molecular Weight1247.79 g/mol
Exact Mass1246.51
IUPAC Name4-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
SMILESC.CC1(C)OB(c2cccc(-c3cccnc3)c2)OC1(C)C.Clc1cc(-c2ccc3ccccc3c2)nc2ccc(-c3ccc4ccccc4c3)cc12.c1cncc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)nc4ccc(-c5ccc6ccccc6c5)cc34)c2)c1
InChIInChI=1S/C40H26N2.C29H18ClN.C17H20BNO2.CH4/c1-3-9-29-21-32(16-14-27(29)7-1)33-18-19-39-38(24-33)37(34-12-5-11-31(22-34)36-13-6-20-41-26-36)25-40(42-39)35-17-15-28-8-2-4-10-30(28)23-35;30-27-18-29(25-12-10-20-6-2-4-8-22(20)16-25)31-28-14-13-24(17-26(27)28)23-11-9-19-5-1-3-7-21(19)15-23;1-16(2)17(3,4)21-18(20-16)15-9-5-7-13(11-15)14-8-6-10-19-12-14;/h1-26H;1-18H;5-12H,1-4H3;1H4
InChIKeyJTASCJGHYSAFBL-UHFFFAOYSA-N
XLogP22.82
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001247.79
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 155691422
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4-phenyl-6-[4-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolin-6-yl]-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 58789449
4,4,5,5-tetramethyl-2-[3-[3-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-1,3,2-dioxaborolane
CID 174246089
4,4,5,5-tetramethyl-2-[6-[2-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[6-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,2-dioxaborolane
CID 165007467
2,4-diphenyl-6-[3-[3-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 140745947
3-[3-[3-chloro-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;1,3-dibromo-5-chlorobenzene;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride
CID 158705411
3-[3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 59638589
4,4,5,5-tetramethyl-2-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 167454708
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
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
1-bromo-3-iodobenzene;2-[3-(3-bromophenyl)phenyl]-4-phenylquinoline;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 158961284

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC1(C)OB(c2cccc(-c3cccnc3)c2)OC1(C)C.Clc1cc(-c2ccc3ccccc3c2)nc2ccc(-c3ccc4ccccc4c3)cc12.c1cncc(-c2cccc(-c3cc(-c4ccc5ccccc5c4)nc4ccc(-c5ccc6ccccc6c5)cc34)c2)c1.
What is the InChIKey of 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?
The InChIKey is JTASCJGHYSAFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2.C29H18ClN.C17H20BNO2.CH4/c1-3-9-29-21-32(16-14-27(29)7-1)33-18-19-39-38(24-33)37(34-12-5-11-31(22-34)36-13-6-20-41-26-36)25-40(42-39)35-17-15-28-8-2-4-10-30(28)23-35;30-27-18-29(25-12-10-20-6-2-4-8-22(20)16-25)31-28-14-13-24(17-26(27)28)23-11-9-19-5-1-3-7-21(19)15-23;1-16(2)17(3,4)21-18(20-16)15-9-5-7-13(11-15)14-8-6-10-19-12-14;/h1-26H;1-18H;5-12H,1-4H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1247.79 g/mol, XLogP of 22.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159015553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).