1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole

C133H94B2Br4IN5O4 — CID 157467977

IUPAC1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2cccc(Br)c2)c1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1cc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C49H33N.2C18H14BNO2.C18H12BrN.C12H8Br2.C12H9N.C6H4BrI/c1-3-19-45-41(15-1)42-16-2-4-20-46(42)49(45)35-25-23-33(24-26-35)36-11-9-13-38(31-36)39-14-10-12-37(32-39)34-27-29-40(30-28-34)50-47-21-7-5-17-43(47)44-18-6-8-22-48(44)50;2*21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-1-3-6(8)4-2-5/h1-32,49H;2*1-12,21-22H;1-12H;1-8H;1-8,13H;1-4H
InChIKeyBURUTQOPLDIHGD-UHFFFAOYSA-N
MW2294.39 g/mol
LogP34.67
Rot. Bonds11

About 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole

1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole (PubChem CID 157467977) has the molecular formula C133H94B2Br4IN5O4 and a molecular weight of 2294.39 g/mol. Its IUPAC name is 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole
PubChem CID157467977
Molecular FormulaC133H94B2Br4IN5O4
Molecular Weight2294.39 g/mol
Exact Mass2289.33
IUPAC Name1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2cccc(Br)c2)c1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1cc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C49H33N.2C18H14BNO2.C18H12BrN.C12H8Br2.C12H9N.C6H4BrI/c1-3-19-45-41(15-1)42-16-2-4-20-46(42)49(45)35-25-23-33(24-26-35)36-11-9-13-38(31-36)39-14-10-12-37(32-39)34-27-29-40(30-28-34)50-47-21-7-5-17-43(47)44-18-6-8-22-48(44)50;2*21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-1-3-6(8)4-2-5/h1-32,49H;2*1-12,21-22H;1-12H;1-8H;1-8,13H;1-4H
InChIKeyBURUTQOPLDIHGD-UHFFFAOYSA-N
XLogP34.67
TPSA116.43 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002294.39
LogP ≤ 534.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-(3-bromophenyl)-2,6-diphenylpyrimidine;(4-carbazol-9-ylphenyl)boronic acid;9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 158743913
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
9-[9-[4-[4-(2-carbazol-9-yl-9H-fluoren-9-yl)phenyl]phenyl]-9H-fluoren-2-yl]carbazole
CID 134379825
CID 158111814
CID 158111814
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
CID 161144938
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
3-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]-9H-carbazole
CID 137410617
3-(4-bromophenyl)-9H-carbazole;[4-(9H-carbazol-3-yl)phenyl]boronic acid;molecular hydrogen
CID 161107448
3-bromo-6,9-diphenylcarbazole;3-(9H-carbazol-3-yl)-6,9-diphenylcarbazole;3,6-dibromo-9-phenylcarbazole;(6,9-diphenylcarbazol-3-yl)boronic acid;3,9-diphenyl-6-[9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazol-3-yl]carbazole
CID 159531032
9-(4-bromophenyl)carbazole;9-[4-(4-bromophenyl)phenyl]carbazole;9-[4-(4-bromophenyl)phenyl]-3-dibenzofuran-4-ylcarbazole;9-[4-(4-bromophenyl)phenyl]-3-iodocarbazole;(4-carbazol-9-ylphenyl)boronic acid;[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 160832433
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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole (CID 157467977) is 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.Brc1ccc(I)cc1.Brc1cccc(-c2cccc(Br)c2)c1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.OB(O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1cc(-c2ccc(C3c4ccccc4-c4ccccc43)cc2)cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)c1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
The InChIKey is BURUTQOPLDIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N.2C18H14BNO2.C18H12BrN.C12H8Br2.C12H9N.C6H4BrI/c1-3-19-45-41(15-1)42-16-2-4-20-46(42)49(45)35-25-23-33(24-26-35)36-11-9-13-38(31-36)39-14-10-12-37(32-39)34-27-29-40(30-28-34)50-47-21-7-5-17-43(47)44-18-6-8-22-48(44)50;2*21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-1-3-6(8)4-2-5/h1-32,49H;2*1-12,21-22H;1-12H;1-8H;1-8,13H;1-4H.
What are the key properties of 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole?
1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole has a molecular weight of 2294.39 g/mol, XLogP of 34.67, 11 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromophenyl)benzene;1-bromo-4-iodobenzene;9-(4-bromophenyl)carbazole;9H-carbazole;bis((4-carbazol-9-ylphenyl)boronic acid);9-[4-[3-[3-[4-(9H-fluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 157467977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).