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

C64H66BCl2IN4O2 — CID 159481259

IUPAC2-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
SMILESCC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(Cl)c1.CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)ccn1
InChIInChI=1S/C30H36BNO2.C29H27ClN2.C5H3ClIN/c1-19(2)24-17-21(32-26-15-11-9-13-22(26)23-14-10-12-16-27(23)32)18-25(20(3)4)28(24)31-33-29(5,6)30(7,8)34-31;1-18(2)24-16-21(17-25(19(3)4)29(24)20-13-14-31-28(30)15-20)32-26-11-7-5-9-22(26)23-10-6-8-12-27(23)32;6-5-3-4(7)1-2-8-5/h9-20H,1-8H3;5-19H,1-4H3;1-3H
InChIKeyLXALIHNPMZVYEL-UHFFFAOYSA-N
MW1131.88 g/mol
LogP18.42
Rot. Bonds8

About 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

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 (PubChem CID 159481259) has the molecular formula C64H66BCl2IN4O2 and a molecular weight of 1131.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159481259
Molecular FormulaC64H66BCl2IN4O2
Molecular Weight1131.88 g/mol
Exact Mass1130.37
IUPAC Name2-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
SMILESCC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(Cl)c1.CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)ccn1
InChIInChI=1S/C30H36BNO2.C29H27ClN2.C5H3ClIN/c1-19(2)24-17-21(32-26-15-11-9-13-22(26)23-14-10-12-16-27(23)32)18-25(20(3)4)28(24)31-33-29(5,6)30(7,8)34-31;1-18(2)24-16-21(17-25(19(3)4)29(24)20-13-14-31-28(30)15-20)32-26-11-7-5-9-22(26)23-10-6-8-12-27(23)32;6-5-3-4(7)1-2-8-5/h9-20H,1-8H3;5-19H,1-4H3;1-3H
InChIKeyLXALIHNPMZVYEL-UHFFFAOYSA-N
XLogP18.42
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.88
LogP ≤ 518.42
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'}

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Related Compounds

2-(4-Tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;9-[4-[2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)-4-pyridinyl]phenyl]carbazole;(4-carbazol-9-ylphenyl)boronic acid
CID 165105681
9-[3-Methyl-4-[2-methyl-4-(3-pyridin-4-ylcarbazol-9-yl)phenyl]phenyl]-3-pyridin-4-ylcarbazole
CID 58769463
5-[4-[3-(4-Carbazol-9-yl-2-methylphenyl)-5-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
CID 59344124
5-[4-[3-[4-(5a,9a-Dihydropyrido[4,3-b]indol-5-yl)-2-methylphenyl]-5-(4-carbazol-9-yl-2-methylphenyl)phenyl]-3-methylphenyl]pyrido[4,3-b]indole
CID 70971563
3,10-Diphenyl-7-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90062547
10-Phenyl-3-(4-phenylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062573
3,6-Diphenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
CID 90062650
10-Naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062706
3-Phenyl-6-(3-phenylphenyl)-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]carbazole
CID 90062728
10-Phenyl-3-(3-pyridin-2-ylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
CID 90062729
3,10-Diphenyl-7-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90177112
9-[4-Methyl-3-[2-methyl-5-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-pyridin-2-ylphenyl)carbazole
CID 118857009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1-c1ccnc(Cl)c1.CC(C)c1cc(-n2c3ccccc3c3ccccc32)cc(C(C)C)c1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)ccn1.
What is the InChIKey of 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?
The InChIKey is LXALIHNPMZVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36BNO2.C29H27ClN2.C5H3ClIN/c1-19(2)24-17-21(32-26-15-11-9-13-22(26)23-14-10-12-16-27(23)32)18-25(20(3)4)28(24)31-33-29(5,6)30(7,8)34-31;1-18(2)24-16-21(17-25(19(3)4)29(24)20-13-14-31-28(30)15-20)32-26-11-7-5-9-22(26)23-10-6-8-12-27(23)32;6-5-3-4(7)1-2-8-5/h9-20H,1-8H3;5-19H,1-4H3;1-3H.
What are the key properties of 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?
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 has a molecular weight of 1131.88 g/mol, XLogP of 18.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159481259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).