3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C84H62BBr2N5O2 — CID 157239027

IUPAC3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1ccc2[nH]c3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H31N3.C24H24BNO2.C12H7Br2N/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;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;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-30,49H;5-16H,1-4H3;1-6,15H
InChIKeyAUZIBNBIZBMWIG-UHFFFAOYSA-N
MW1344.07 g/mol
LogP22.78
Rot. Bonds6

About 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 157239027) has the molecular formula C84H62BBr2N5O2 and a molecular weight of 1344.07 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID157239027
Molecular FormulaC84H62BBr2N5O2
Molecular Weight1344.07 g/mol
Exact Mass1341.34
IUPAC Name3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESBrc1ccc2[nH]c3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1
InChIInChI=1S/C48H31N3.C24H24BNO2.C12H7Br2N/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;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;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-30,49H;5-16H,1-4H3;1-6,15H
InChIKeyAUZIBNBIZBMWIG-UHFFFAOYSA-N
XLogP22.78
TPSA64.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001344.07
LogP ≤ 522.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole with MolForge

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Related Compounds

5-bromo-2-(2,6-difluorophenyl)-1H-indole;2-(2,6-difluorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 158190243
3-Bromo-9-[4-[4-(3-bromo-6-octylcarbazol-9-yl)phenyl]phenyl]-6-octylcarbazole
CID 42603707
4-bromo-N-[4-[4-[N-(4-bromo-2-methylphenyl)-4-(6,9-diphenylcarbazol-3-yl)anilino]phenyl]phenyl]-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-methylaniline
CID 58113374
3,6-Bis[9-[6-bromo-9-(4-tert-butylphenyl)carbazol-3-yl]fluoren-9-yl]-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 58151172
N,N-bis[4-[4-(3-bromocarbazol-9-yl)phenyl]phenyl]-4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
CID 58323983
1-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9H-carbazole
CID 66924192
3-bromo-6-(9-phenylcarbazol-3-yl)-9H-carbazole
CID 90349645
5,14,23,32-Tetrabromo-9,18,27,36-tetrazanonacyclo[27.7.0.02,10.03,8.011,19.012,17.020,28.021,26.030,35]hexatriaconta-1(29),2(10),3(8),4,6,11(19),12(17),13,15,20(28),21(26),22,24,30(35),31,33-hexadecaene
CID 101356306
5-[3-bromo-5-(12H-indolo[3,2-c]carbazol-5-yl)phenyl]-12H-indolo[3,2-c]carbazole
CID 118670470
6-Bromo-9-[4-[4-(6-bromo-1-butylcarbazol-9-yl)phenyl]phenyl]-1-butylcarbazole
CID 140099129
6-Bromo-9-[4-[4-(6-bromo-1-decylcarbazol-9-yl)phenyl]phenyl]-1-decylcarbazole
CID 140099137
3-Bromo-9-[4-[4-(3-bromo-6-dodecylcarbazol-9-yl)phenyl]phenyl]-6-dodecylcarbazole
CID 140099141

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 157239027) is 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Brc1ccc2[nH]c3ccc(Br)cc3c2c1.CC1(C)OB(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)OC1(C)C.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is AUZIBNBIZBMWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3.C24H24BNO2.C12H7Br2N/c1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;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;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-30,49H;5-16H,1-4H3;1-6,15H.
What are the key properties of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 1344.07 g/mol, XLogP of 22.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3,6-dibromo-9H-carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 157239027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).