1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

C101H99B4Br4N5O8 — CID 158124883

IUPAC1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Cc1cc(Br)cc(-c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C33H37B2N3O4.C30H35B2NO4.C24H15Br2N.C14H12Br2/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22;25-18-9-11-23-21(14-18)22-15-19(26)10-12-24(22)27(23)20-8-4-7-17(13-20)16-5-2-1-3-6-16;1-9-3-11(7-13(15)5-9)12-4-10(2)6-14(16)8-12/h9-21H,1-8H3;9-19H,1-8H3;1-15H;3-8H,1-2H3
InChIKeyFSAVLBADXKLRPA-UHFFFAOYSA-N
MW1873.79 g/mol
LogP24.32
Rot. Bonds11

About 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 158124883) has the molecular formula C101H99B4Br4N5O8 and a molecular weight of 1873.79 g/mol. Its IUPAC name is 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
PubChem CID158124883
Molecular FormulaC101H99B4Br4N5O8
Molecular Weight1873.79 g/mol
Exact Mass1869.46
IUPAC Name1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Cc1cc(Br)cc(-c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C33H37B2N3O4.C30H35B2NO4.C24H15Br2N.C14H12Br2/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22;25-18-9-11-23-21(14-18)22-15-19(26)10-12-24(22)27(23)20-8-4-7-17(13-20)16-5-2-1-3-6-16;1-9-3-11(7-13(15)5-9)12-4-10(2)6-14(16)8-12/h9-21H,1-8H3;9-19H,1-8H3;1-15H;3-8H,1-2H3
InChIKeyFSAVLBADXKLRPA-UHFFFAOYSA-N
XLogP24.32
TPSA122.37 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001873.79
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 158124883) is 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1cccc(-c2ccccc2)c1.CC1(C)OB(c2ccc3c(c2)c2cc(B4OC(C)(C)C(C)(C)O4)ccc2n3-c2ccccc2)OC1(C)C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)n3)c2)OC1(C)C.Cc1cc(Br)cc(-c2cc(C)cc(Br)c2)c1.
What is the InChIKey of 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is FSAVLBADXKLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37B2N3O4.C30H35B2NO4.C24H15Br2N.C14H12Br2/c1-30(2)31(3,4)40-34(39-30)25-18-12-16-23(20-25)28-36-27(22-14-10-9-11-15-22)37-29(38-28)24-17-13-19-26(21-24)35-41-32(5,6)33(7,8)42-35;1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22;25-18-9-11-23-21(14-18)22-15-19(26)10-12-24(22)27(23)20-8-4-7-17(13-20)16-5-2-1-3-6-16;1-9-3-11(7-13(15)5-9)12-4-10(2)6-14(16)8-12/h9-21H,1-8H3;9-19H,1-8H3;1-15H;3-8H,1-2H3.
What are the key properties of 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 1873.79 g/mol, XLogP of 24.32, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromo-5-methylphenyl)-5-methylbenzene;3,6-dibromo-9-(3-phenylphenyl)carbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158124883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).