9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane

C140H112BBrN8O2 — CID 159665972

IUPAC9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane
SMILESBrc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.C.C.CC1(C)OB(c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)OC1(C)C.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C65H42N4.C36H32BNO2.C35H22BrN3.4CH4/c1-3-15-43(16-4-1)46-29-33-64-58(38-46)59-39-47(44-17-5-2-6-18-44)30-34-65(59)67(64)51-31-27-45(28-32-51)49-35-50(42-66-41-49)48-36-52(68-60-23-11-7-19-54(60)55-20-8-12-24-61(55)68)40-53(37-48)69-62-25-13-9-21-56(62)57-22-10-14-26-63(57)69;1-35(2)36(3,4)40-37(39-35)29-17-19-30(20-18-29)38-33-21-15-27(25-11-7-5-8-12-25)23-31(33)32-24-28(16-22-34(32)38)26-13-9-6-10-14-26;36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;;;;/h1-42H;5-24H,1-4H3;1-22H;4*1H4
InChIKeyMTKATEHXGGTQRT-UHFFFAOYSA-N
MW2029.21 g/mol
LogP37.71
Rot. Bonds14

About 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane

9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane (PubChem CID 159665972) has the molecular formula C140H112BBrN8O2 and a molecular weight of 2029.21 g/mol. Its IUPAC name is 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane.

Molecular Properties

Compound Name9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane
PubChem CID159665972
Molecular FormulaC140H112BBrN8O2
Molecular Weight2029.21 g/mol
Exact Mass2026.82
IUPAC Name9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane
SMILESBrc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.C.C.CC1(C)OB(c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)OC1(C)C.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C65H42N4.C36H32BNO2.C35H22BrN3.4CH4/c1-3-15-43(16-4-1)46-29-33-64-58(38-46)59-39-47(44-17-5-2-6-18-44)30-34-65(59)67(64)51-31-27-45(28-32-51)49-35-50(42-66-41-49)48-36-52(68-60-23-11-7-19-54(60)55-20-8-12-24-61(55)68)40-53(37-48)69-62-25-13-9-21-56(62)57-22-10-14-26-63(57)69;1-35(2)36(3,4)40-37(39-35)29-17-19-30(20-18-29)38-33-21-15-27(25-11-7-5-8-12-25)23-31(33)32-24-28(16-22-34(32)38)26-13-9-6-10-14-26;36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;;;;/h1-42H;5-24H,1-4H3;1-22H;4*1H4
InChIKeyMTKATEHXGGTQRT-UHFFFAOYSA-N
XLogP37.71
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002029.21
LogP ≤ 537.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane?
The IUPAC name of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane (CID 159665972) is 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane.
What is the SMILES notation for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane?
The canonical SMILES for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane is Brc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.C.C.CC1(C)OB(c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2)OC1(C)C.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1.
What is the InChIKey of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane?
The InChIKey is MTKATEHXGGTQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4.C36H32BNO2.C35H22BrN3.4CH4/c1-3-15-43(16-4-1)46-29-33-64-58(38-46)59-39-47(44-17-5-2-6-18-44)30-34-65(59)67(64)51-31-27-45(28-32-51)49-35-50(42-66-41-49)48-36-52(68-60-23-11-7-19-54(60)55-20-8-12-24-61(55)68)40-53(37-48)69-62-25-13-9-21-56(62)57-22-10-14-26-63(57)69;1-35(2)36(3,4)40-37(39-35)29-17-19-30(20-18-29)38-33-21-15-27(25-11-7-5-8-12-25)23-31(33)32-24-28(16-22-34(32)38)26-13-9-6-10-14-26;36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;;;;/h1-42H;5-24H,1-4H3;1-22H;4*1H4.
What are the key properties of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane?
9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane has a molecular weight of 2029.21 g/mol, XLogP of 37.71, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole;3,6-diphenyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;methane is sourced from PubChem (CID 159665972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).