2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C131H96BBr2N7O2 — CID 158046446

IUPAC2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Brc1ccc2c(c1)-c1ccccc1C2.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C47H31N3.C30H20N2.C24H24BNO2.C17H12BrN.C13H9Br/c1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)48-47(31-36)50-44-23-13-11-21-39(44)41-29-35(25-27-46(41)50)34-24-26-45-40(28-34)38-20-10-12-22-43(38)49(45)37-18-8-3-9-19-37;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-31H;1-19,31H;5-16H,1-4H3;1-12H;1-6,8H,7H2
InChIKeyFIYTWQBUQMVZMA-UHFFFAOYSA-N
MW1970.88 g/mol
LogP34.64
Rot. Bonds11

About 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 158046446) has the molecular formula C131H96BBr2N7O2 and a molecular weight of 1970.88 g/mol. Its IUPAC name is 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID158046446
Molecular FormulaC131H96BBr2N7O2
Molecular Weight1970.88 g/mol
Exact Mass1967.61
IUPAC Name2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Brc1ccc2c(c1)-c1ccccc1C2.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C47H31N3.C30H20N2.C24H24BNO2.C17H12BrN.C13H9Br/c1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)48-47(31-36)50-44-23-13-11-21-39(44)41-29-35(25-27-46(41)50)34-24-26-45-40(28-34)38-20-10-12-22-43(38)49(45)37-18-8-3-9-19-37;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-31H;1-19,31H;5-16H,1-4H3;1-12H;1-6,8H,7H2
InChIKeyFIYTWQBUQMVZMA-UHFFFAOYSA-N
XLogP34.64
TPSA79.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.88
LogP ≤ 534.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

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Related Compounds

2-bromo-10H-anthracen-9-one;2-chloro-4,6-diphenylpyridine;methane;2-(9-phenylcarbazol-3-yl)-10H-anthracen-9-one;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157439720
9-(4,6-diphenyl-2-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 139270302
3-bromo-9H-xanthene;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10H-acridin-9-one;9-(4,6-diphenylpyrimidin-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;1-iodo-4-phenylbenzene;methane
CID 159942790
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-(4-phenylphenyl)carbazole;[9-(4-phenylphenyl)carbazol-3-yl]boronic acid;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 162213717
3-(9H-carbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole;2,4-diphenylpyridine;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 159099116
2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-3-yl)-6-phenylbenzimidazolo[1,2-a]benzimidazole;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 158221439
3-(8-bromodibenzothiophen-2-yl)-9-phenylcarbazole;9-phenyl-3-[8-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-2-yl]carbazole
CID 159896388
2-bromo-4,6-diphenylpyridine;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;hydrofluoride
CID 159095754
ethane;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;5,14,23-tribromo-9,9,18,18,27,27-hexamethylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 162017158
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine;N-(9H-fluoren-3-yl)-N-phenyl-9H-carbazol-3-amine
CID 158936176
3-[3-(7-bromo-9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole;2-bromo-7-iodo-9,9-dimethylfluorene;9-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 159493600

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 158046446) is 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1cc(-c2ccccc2)cc(-c2ccccc2)n1.Brc1ccc2c(c1)-c1ccccc1C2.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is FIYTWQBUQMVZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C30H20N2.C24H24BNO2.C17H12BrN.C13H9Br/c1-4-14-32(15-5-1)36-30-42(33-16-6-2-7-17-33)48-47(31-36)50-44-23-13-11-21-39(44)41-29-35(25-27-46(41)50)34-24-26-45-40(28-34)38-20-10-12-22-43(38)49(45)37-18-8-3-9-19-37;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;1-23(2)24(3,4)28-25(27-23)17-14-15-22-20(16-17)19-12-8-9-13-21(19)26(22)18-10-6-5-7-11-18;18-17-12-15(13-7-3-1-4-8-13)11-16(19-17)14-9-5-2-6-10-14;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-31H;1-19,31H;5-16H,1-4H3;1-12H;1-6,8H,7H2.
What are the key properties of 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1970.88 g/mol, XLogP of 34.64, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-diphenylpyridine;3-bromo-9H-fluorene;3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 158046446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).