3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole

C136H97BBrN11O2Si2 — CID 157314652

IUPAC3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C54H38N4Si.C28H18BrN3.C28H19N3.C26H22BNO2Si/c1-59(2)52-25-15-13-23-41(52)45-32-51-44(33-53(45)59)43-31-38(26-28-49(43)57(51)39-20-10-5-11-21-39)37-27-29-50-42(30-37)40-22-12-14-24-48(40)58(50)54-55-46(35-16-6-3-7-17-35)34-47(56-54)36-18-8-4-9-19-36;29-21-15-16-27-23(17-21)22-13-7-8-14-26(22)32(27)28-30-24(19-9-3-1-4-10-19)18-25(31-28)20-11-5-2-6-12-20;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)30-28(29-24)31-26-17-9-7-15-22(26)23-16-8-10-18-27(23)31;1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18/h3-34H,1-2H3;1-18H;1-19H;3-16,29-30H,1-2H3
InChIKeyBDLIJCBSHBZAMY-UHFFFAOYSA-N
MW2064.23 g/mol
LogP30.32
Rot. Bonds13

About 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole

3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole (PubChem CID 157314652) has the molecular formula C136H97BBrN11O2Si2 and a molecular weight of 2064.23 g/mol. Its IUPAC name is 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole
PubChem CID157314652
Molecular FormulaC136H97BBrN11O2Si2
Molecular Weight2064.23 g/mol
Exact Mass2061.66
IUPAC Name3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C54H38N4Si.C28H18BrN3.C28H19N3.C26H22BNO2Si/c1-59(2)52-25-15-13-23-41(52)45-32-51-44(33-53(45)59)43-31-38(26-28-49(43)57(51)39-20-10-5-11-21-39)37-27-29-50-42(30-37)40-22-12-14-24-48(40)58(50)54-55-46(35-16-6-3-7-17-35)34-47(56-54)36-18-8-4-9-19-36;29-21-15-16-27-23(17-21)22-13-7-8-14-26(22)32(27)28-30-24(19-9-3-1-4-10-19)18-25(31-28)20-11-5-2-6-12-20;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)30-28(29-24)31-26-17-9-7-15-22(26)23-16-8-10-18-27(23)31;1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18/h3-34H,1-2H3;1-18H;1-19H;3-16,29-30H,1-2H3
InChIKeyBDLIJCBSHBZAMY-UHFFFAOYSA-N
XLogP30.32
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002064.23
LogP ≤ 530.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole with MolForge

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Related Compounds

9-[4-[3-[3,6-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 121444231
9-[4-[3-[2,7-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 121444255
4-Carbazol-9-yl-7-[9-[3-(4-carbazol-9-yl-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]carbazol-3-yl]-2-(4-carbazol-9-ylphenyl)-5,5-dimethyl-[1]benzosilolo[3,2-d]pyrimidine
CID 123205359
7-[6-[9,9-Dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidin-2-yl]-9-phenylcarbazol-2-yl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine
CID 123781186
9-[3-[2-(3-Bromophenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632895
6-bromo-2,4-bis[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-9H-pyrimido[4,5-b]indole
CID 132075634
6-Bromo-9-phenyl-2,4-bis[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]pyrimido[4,5-b]indole
CID 132075652
9-[4-[3-[3,6-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236644
9-[4-[3-[2,7-Bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236651
2-(9-Phenylcarbazol-3-yl)-5-[3-[4-phenyl-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-phenyl-6-[3-[3-[4-phenyl-6-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 134482857
2-[9-[3-[4-[3-[4-[3-[9-[3-[4-[3-[4-[3-[9-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 138458745
3-[9-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 138458872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole?
The IUPAC name of 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole (CID 157314652) is 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole.
What is the SMILES notation for 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole?
The canonical SMILES for 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole is Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)ccc1n3-c1ccccc1.C[Si]1(C)c2ccccc2-c2cc3c(cc21)c1cc(B(O)O)ccc1n3-c1ccccc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole?
The InChIKey is BDLIJCBSHBZAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4Si.C28H18BrN3.C28H19N3.C26H22BNO2Si/c1-59(2)52-25-15-13-23-41(52)45-32-51-44(33-53(45)59)43-31-38(26-28-49(43)57(51)39-20-10-5-11-21-39)37-27-29-50-42(30-37)40-22-12-14-24-48(40)58(50)54-55-46(35-16-6-3-7-17-35)34-47(56-54)36-18-8-4-9-19-36;29-21-15-16-27-23(17-21)22-13-7-8-14-26(22)32(27)28-30-24(19-9-3-1-4-10-19)18-25(31-28)20-11-5-2-6-12-20;1-3-11-20(12-4-1)24-19-25(21-13-5-2-6-14-21)30-28(29-24)31-26-17-9-7-15-22(26)23-16-8-10-18-27(23)31;1-31(2)25-11-7-6-10-19(25)22-15-24-21(16-26(22)31)20-14-17(27(29)30)12-13-23(20)28(24)18-8-4-3-5-9-18/h3-34H,1-2H3;1-18H;1-19H;3-16,29-30H,1-2H3.
What are the key properties of 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole?
3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole has a molecular weight of 2064.23 g/mol, XLogP of 30.32, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-9-(4,6-diphenylpyrimidin-2-yl)carbazole;(11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazol-2-yl)boronic acid;9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-11,11-dimethyl-5-phenyl-[1]benzosilolo[3,2-b]carbazole is sourced from PubChem (CID 157314652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).