9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole

C90H66BBrN2O2 — CID 157265589

IUPAC9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C42H27N.C30H27BO2.C18H12BrN/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-27H;5-19H,1-4H3;1-12H
InChIKeyAXYMZXLRWFPYDB-UHFFFAOYSA-N
MW1298.25 g/mol
LogP24.24
Rot. Bonds6

About 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole

9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole (PubChem CID 157265589) has the molecular formula C90H66BBrN2O2 and a molecular weight of 1298.25 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
PubChem CID157265589
Molecular FormulaC90H66BBrN2O2
Molecular Weight1298.25 g/mol
Exact Mass1296.44
IUPAC Name9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C42H27N.C30H27BO2.C18H12BrN/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-27H;5-19H,1-4H3;1-12H
InChIKeyAXYMZXLRWFPYDB-UHFFFAOYSA-N
XLogP24.24
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.25
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole with MolForge

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Related Compounds

3,6-Dibromo-9-(triphenylen-2-yl)carbazole
CID 89492331
6,6'-Dibromo-9,9'-diphenyl-3,3'-bicarbazole
CID 131852839
9-[4-[10-(4-Carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 20781581
3,3'-(2,5-Dimethyl-1,4-phenylene) bis(9-phenyl-9h-carbazole)
CID 57558506
3,3'-Bi-9H-carbazole, 6-bromo-9,9'-diphenyl-
CID 70661112
3-[9-(4-Methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
CID 88567767
3-[9-(2-Methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-[9-[2-(trifluoromethyl)phenyl]carbazol-3-yl]carbazole
CID 88567780
3-Methyl-9-(4-methylphenyl)-6-[6-[9-(4-methylphenyl)-6-(trifluoromethyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 89244868
3-[9-(4-Bromophenyl)carbazol-3-yl]-9-(4-fluorophenyl)carbazole
CID 117881060
2-Phenyl-6-(9-phenylcarbazol-3-yl)-9-[4-[2,3,4,5-tetrakis(4-fluorophenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]carbazole
CID 142347268
3-[3-Bromo-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
CID 145133684
3-Naphthalen-1-yl-9-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole;3-naphthalen-1-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157438800

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole (CID 157265589) is 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC1(C)OB(c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)OC1(C)C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The InChIKey is AXYMZXLRWFPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N.C30H27BO2.C18H12BrN/c1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-27H;5-19H,1-4H3;1-12H.
What are the key properties of 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole has a molecular weight of 1298.25 g/mol, XLogP of 24.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 157265589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).