5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline

C68H62BBr2IN4O2 — CID 159187938

IUPAC5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline
SMILESBrc1ccc(I)nc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(Br)cn4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1
InChIInChI=1S/C32H34BNO2.C31H25BrN2.C5H3BrIN/c1-23-7-17-28(18-8-23)34(29-19-9-24(2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(16-12-25)33-35-31(3,4)32(5,6)36-33;1-22-3-14-28(15-4-22)34(29-16-5-23(2)6-17-29)30-18-11-25(12-19-30)24-7-9-26(10-8-24)31-20-13-27(32)21-33-31;6-4-1-2-5(7)8-3-4/h7-22H,1-6H3;3-21H,1-2H3;1-3H
InChIKeyKNSODPGIPJIEMW-UHFFFAOYSA-N
MW1264.79 g/mol
LogP19.45
Rot. Bonds10

About 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline

5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline (PubChem CID 159187938) has the molecular formula C68H62BBr2IN4O2 and a molecular weight of 1264.79 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline
PubChem CID159187938
Molecular FormulaC68H62BBr2IN4O2
Molecular Weight1264.79 g/mol
Exact Mass1262.24
IUPAC Name5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline
SMILESBrc1ccc(I)nc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(Br)cn4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1
InChIInChI=1S/C32H34BNO2.C31H25BrN2.C5H3BrIN/c1-23-7-17-28(18-8-23)34(29-19-9-24(2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(16-12-25)33-35-31(3,4)32(5,6)36-33;1-22-3-14-28(15-4-22)34(29-16-5-23(2)6-17-29)30-18-11-25(12-19-30)24-7-9-26(10-8-24)31-20-13-27(32)21-33-31;6-4-1-2-5(7)8-3-4/h7-22H,1-6H3;3-21H,1-2H3;1-3H
InChIKeyKNSODPGIPJIEMW-UHFFFAOYSA-N
XLogP19.45
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.79
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline with MolForge

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Related Compounds

4-[5-bromo-4-[3-bromo-5-[4-(N-phenylanilino)phenyl]-4-pyridinyl]-3-pyridinyl]-N,N-diphenylaniline
CID 57342783
N-[4-[4-[4-[4-(N-[4-(4-bromophenyl)phenyl]-4-methylanilino)phenyl]-N-pyridin-4-ylanilino]phenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]pyridin-4-amine
CID 23594477
N,N-diphenyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)aniline
CID 66801665
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 67532045
4-methyl-N-(4-methylphenyl)-N-[4-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]phenyl]aniline
CID 89988713
N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 89988715
4-[4-(5-bromo-2-pyridinyl)phenyl]-N,N-diphenylaniline
CID 89988734
N,N-diphenyl-4-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]aniline
CID 89988743
4-methyl-N-(4-methylphenyl)-N-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]phenyl]aniline
CID 89988744
2-[4-[4-(4-Pyridin-2-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 90266964
2-[4-[3-(4-Pyridin-2-ylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 90266966
2-[4-[4-(4-Pyridin-2-ylcyclohexa-1,5-dien-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyridine
CID 90266999

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline?
The IUPAC name of 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline (CID 159187938) is 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline?
The canonical SMILES for 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline is Brc1ccc(I)nc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(Br)cn4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)cc1.
What is the InChIKey of 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline?
The InChIKey is KNSODPGIPJIEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34BNO2.C31H25BrN2.C5H3BrIN/c1-23-7-17-28(18-8-23)34(29-19-9-24(2)10-20-29)30-21-13-26(14-22-30)25-11-15-27(16-12-25)33-35-31(3,4)32(5,6)36-33;1-22-3-14-28(15-4-22)34(29-16-5-23(2)6-17-29)30-18-11-25(12-19-30)24-7-9-26(10-8-24)31-20-13-27(32)21-33-31;6-4-1-2-5(7)8-3-4/h7-22H,1-6H3;3-21H,1-2H3;1-3H.
What are the key properties of 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline?
5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline has a molecular weight of 1264.79 g/mol, XLogP of 19.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine;N-[4-[4-(5-bromo-2-pyridinyl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 159187938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).