2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C63H54BBrN6O4 — CID 158625929

IUPAC2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cccc(Oc2ccccn2)c1.C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)OC1(C)C.c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H19N3O.C23H23BN2O2.C11H8BrNO.CH4/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28;1-22(2)23(3,4)28-24(27-22)16-12-13-18-17-9-5-6-10-19(17)26(20(18)15-16)21-11-7-8-14-25-21;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11;/h1-19H;5-15H,1-4H3;1-8H;1H4
InChIKeyHYOYVWWCKNIUBZ-UHFFFAOYSA-N
MW1049.88 g/mol
LogP15.78
Rot. Bonds8

About 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 158625929) has the molecular formula C63H54BBrN6O4 and a molecular weight of 1049.88 g/mol. Its IUPAC name is 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID158625929
Molecular FormulaC63H54BBrN6O4
Molecular Weight1049.88 g/mol
Exact Mass1048.35
IUPAC Name2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cccc(Oc2ccccn2)c1.C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)OC1(C)C.c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1
InChIInChI=1S/C28H19N3O.C23H23BN2O2.C11H8BrNO.CH4/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28;1-22(2)23(3,4)28-24(27-22)16-12-13-18-17-9-5-6-10-19(17)26(20(18)15-16)21-11-7-8-14-25-21;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11;/h1-19H;5-15H,1-4H3;1-8H;1H4
InChIKeyHYOYVWWCKNIUBZ-UHFFFAOYSA-N
XLogP15.78
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.88
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

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Related Compounds

9-Pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 139406130
9-(4-Methyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 139406131
(2,6-Dimethyl-4-phenoxyphenyl)-bis[4-(14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]borane
CID 154007002
2-(3-Bromophenoxy)-9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-ylcarbazole
CID 156439968
3-[2-(3-Bromophenoxy)carbazol-9-yl]-5-phenylpyrido[4,3-b]indole
CID 156781111
2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
CID 157172422
CID 157308126
CID 157308126
CID 157401028
CID 157401028
3-bromo-5-tert-butylphenol;2-(3-bromo-5-tert-butylphenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-tert-butyl-5-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-4-phenylpyridine
CID 157699726
3-bromophenol;2-(3-bromophenoxy)-4-phenylpyridine;2-bromo-4-phenylpyridine;2-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-9H-pyrido[2,3-b]indole;4-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
CID 158342540
1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
CID 159449810
3-Amino-5-methylphenol;2-bromo-9-(4-methyl-2-pyridinyl)carbazole;3-methyl-5-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyaniline
CID 159877722

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 158625929) is 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1cccc(Oc2ccccn2)c1.C.CC1(C)OB(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)OC1(C)C.c1ccc(Oc2cccc(-c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)nc1.
What is the InChIKey of 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is HYOYVWWCKNIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O.C23H23BN2O2.C11H8BrNO.CH4/c1-2-11-25-23(10-1)24-15-14-21(19-26(24)31(25)27-12-3-5-16-29-27)20-8-7-9-22(18-20)32-28-13-4-6-17-30-28;1-22(2)23(3,4)28-24(27-22)16-12-13-18-17-9-5-6-10-19(17)26(20(18)15-16)21-11-7-8-14-25-21;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11;/h1-19H;5-15H,1-4H3;1-8H;1H4.
What are the key properties of 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1049.88 g/mol, XLogP of 15.78, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)pyridine;methane;9-pyridin-2-yl-2-(3-pyridin-2-yloxyphenyl)carbazole;9-pyridin-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 158625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).