2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C77H80B3ClIN5O6 — CID 162003763

IUPAC2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)[nH]c2ccccc23)OC1(C)C.Clc1cc(-c2ccccc2)ccn1.Ic1ccc2c(c1)[nH]c1ccccc12.c1ccc(-c2ccnc(-c3ccc4c(c3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C23H16N2.C18H20BNO2.C12H24B2O4.C12H8IN.C11H8ClN.CH4/c1-2-6-16(7-3-1)17-12-13-24-22(14-17)18-10-11-20-19-8-4-5-9-21(19)25-23(20)15-18;1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-15,25H;5-11,20H,1-4H3;1-8H3;1-7,14H;1-8H;1H4
InChIKeyYSOBNNYZSMRZRS-UHFFFAOYSA-N
MW1366.31 g/mol
LogP19.88
Rot. Bonds5

About 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162003763) has the molecular formula C77H80B3ClIN5O6 and a molecular weight of 1366.31 g/mol. Its IUPAC name is 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID162003763
Molecular FormulaC77H80B3ClIN5O6
Molecular Weight1366.31 g/mol
Exact Mass1365.51
IUPAC Name2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)[nH]c2ccccc23)OC1(C)C.Clc1cc(-c2ccccc2)ccn1.Ic1ccc2c(c1)[nH]c1ccccc12.c1ccc(-c2ccnc(-c3ccc4c(c3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C23H16N2.C18H20BNO2.C12H24B2O4.C12H8IN.C11H8ClN.CH4/c1-2-6-16(7-3-1)17-12-13-24-22(14-17)18-10-11-20-19-8-4-5-9-21(19)25-23(20)15-18;1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-15,25H;5-11,20H,1-4H3;1-8H3;1-7,14H;1-8H;1H4
InChIKeyYSOBNNYZSMRZRS-UHFFFAOYSA-N
XLogP19.88
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001366.31
LogP ≤ 519.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

6-chloro-4-(4-fluoro-1H-indol-2-yl)pyridin-3-amine;6-chloro-4-iodopyridin-3-amine;4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
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2-bromopyridine;2-pyridin-2-yl-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
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6-Chloro-1-[(4-methylphenyl)methyl]indole;1-[(4-methylphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
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3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(2-[3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]aniline);1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
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2-Chloro-4-iodopyridine;9-[4-(2-chloro-4-pyridinyl)-3,5-di(propan-2-yl)phenyl]carbazole;9-[3,5-di(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 159481259
2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159702700
5-(6-chloro-4-ethyl-3-pyridinyl)-2-(2-chloro-6-fluorophenyl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 160387500
carbanide;3-chloro-4-iodo-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;bis(2-[3-chloro-2-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]aniline);1-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;triiodovanadium;bis(vanadium)
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CID 164999683
CID 164999683
3-chloro-1H-indole;3-(3-chloroindol-1-yl)-9-phenylcarbazole;3-iodo-9-phenylcarbazole
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2-Chloro-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;2-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-9-phenylcarbazole;9-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 168391576

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162003763) is 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)[nH]c2ccccc23)OC1(C)C.Clc1cc(-c2ccccc2)ccn1.Ic1ccc2c(c1)[nH]c1ccccc12.c1ccc(-c2ccnc(-c3ccc4c(c3)[nH]c3ccccc34)c2)cc1.
What is the InChIKey of 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is YSOBNNYZSMRZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2.C18H20BNO2.C12H24B2O4.C12H8IN.C11H8ClN.CH4/c1-2-6-16(7-3-1)17-12-13-24-22(14-17)18-10-11-20-19-8-4-5-9-21(19)25-23(20)15-18;1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-15,25H;5-11,20H,1-4H3;1-8H3;1-7,14H;1-8H;1H4.
What are the key properties of 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1366.31 g/mol, XLogP of 19.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylpyridine;2-iodo-9H-carbazole;methane;2-(4-phenyl-2-pyridinyl)-9H-carbazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162003763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).