9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane

C143H103BBr2N2O2S3 — CID 157479613

IUPAC9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
SMILESBrc1cc(Br)cc(-n2c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3c3cc(-c4ccc5c(c4)Cc4ccccc4-5)ccc32)c1.C.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3cccs3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccs5)c4)cc(-n4c5ccc(-c6ccc7c(c6)Cc6ccccc6-7)cc5c5cc(-c6ccc7c(c6)Cc6ccccc6-7)ccc54)c3)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C76H49NS2.C44H27Br2N.C22H23BO2S.CH4/c1-3-13-48(14-4-1)56-37-58(42-64(40-56)75-21-11-31-78-75)60-39-61(59-38-57(49-15-5-2-6-16-49)41-65(43-59)76-22-12-32-79-76)45-66(44-60)77-73-29-25-52(50-23-27-69-62(33-50)35-54-17-7-9-19-67(54)69)46-71(73)72-47-53(26-30-74(72)77)51-24-28-70-63(34-51)36-55-18-8-10-20-68(55)70;45-34-23-35(46)25-36(24-34)47-43-15-11-28(26-9-13-39-32(17-26)19-30-5-1-3-7-37(30)39)21-41(43)42-22-29(12-16-44(42)47)27-10-14-40-33(18-27)20-31-6-2-4-8-38(31)40;1-21(2)22(3,4)25-23(24-21)19-14-17(16-9-6-5-7-10-16)13-18(15-19)20-11-8-12-26-20;/h1-34,37-47H,35-36H2;1-18,21-25H,19-20H2;5-15H,1-4H3;1H4
InChIKeyBVZYBVCDXNHLPN-UHFFFAOYSA-N
MW2148.23 g/mol
LogP40.19
Rot. Bonds15

About 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane

9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane (PubChem CID 157479613) has the molecular formula C143H103BBr2N2O2S3 and a molecular weight of 2148.23 g/mol. Its IUPAC name is 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
PubChem CID157479613
Molecular FormulaC143H103BBr2N2O2S3
Molecular Weight2148.23 g/mol
Exact Mass2144.56
IUPAC Name9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane
SMILESBrc1cc(Br)cc(-n2c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3c3cc(-c4ccc5c(c4)Cc4ccccc4-5)ccc32)c1.C.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3cccs3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccs5)c4)cc(-n4c5ccc(-c6ccc7c(c6)Cc6ccccc6-7)cc5c5cc(-c6ccc7c(c6)Cc6ccccc6-7)ccc54)c3)cc(-c3cccs3)c2)cc1
InChIInChI=1S/C76H49NS2.C44H27Br2N.C22H23BO2S.CH4/c1-3-13-48(14-4-1)56-37-58(42-64(40-56)75-21-11-31-78-75)60-39-61(59-38-57(49-15-5-2-6-16-49)41-65(43-59)76-22-12-32-79-76)45-66(44-60)77-73-29-25-52(50-23-27-69-62(33-50)35-54-17-7-9-19-67(54)69)46-71(73)72-47-53(26-30-74(72)77)51-24-28-70-63(34-51)36-55-18-8-10-20-68(55)70;45-34-23-35(46)25-36(24-34)47-43-15-11-28(26-9-13-39-32(17-26)19-30-5-1-3-7-37(30)39)21-41(43)42-22-29(12-16-44(42)47)27-10-14-40-33(18-27)20-31-6-2-4-8-38(31)40;1-21(2)22(3,4)25-23(24-21)19-14-17(16-9-6-5-7-10-16)13-18(15-19)20-11-8-12-26-20;/h1-34,37-47H,35-36H2;1-18,21-25H,19-20H2;5-15H,1-4H3;1H4
InChIKeyBVZYBVCDXNHLPN-UHFFFAOYSA-N
XLogP40.19
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002148.23
LogP ≤ 540.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole
CID 59236383
9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole
CID 59236509
9-(9,9-Dimethylfluoren-2-yl)-3-[5-[7'-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
CID 59236571
9-(9,9-Dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236629
9-(9,9-Dimethylfluoren-2-yl)-3-[5-[2-[7-[2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole
CID 72240016
9-(9,9-Dimethylfluoren-2-yl)-3-[5-[2-[7'-[2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole
CID 72240101
3-[5-[(E)-2-[7'-[(E)-2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89093847
9-(9,9-Dimethylfluoren-2-yl)-3-[5-[7-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-2,3-dihydrothiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 89093870
[25-(2-Bromothiophene-3-carbonyl)spiro[5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene-15,9'-fluorene]-5-yl]-(2-bromothiophen-3-yl)methanone
CID 118343945
5-[2-Dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145257234
2-Methyl-23-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-29-thia-20-azadecacyclo[25.9.2.19,13.02,10.03,8.012,20.014,19.021,26.028,36.030,35]nonatriaconta-1(36),3,5,7,9,11,13(39),14,16,18,21(26),22,24,27,30,32,34,37-octadecaene
CID 153185328
1-Bromo-3-iodobenzene;6-(3-bromophenyl)-12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(4-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 157083097

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane (CID 157479613) is 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane is Brc1cc(Br)cc(-n2c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3c3cc(-c4ccc5c(c4)Cc4ccccc4-5)ccc32)c1.C.CC1(C)OB(c2cc(-c3ccccc3)cc(-c3cccs3)c2)OC1(C)C.c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccs5)c4)cc(-n4c5ccc(-c6ccc7c(c6)Cc6ccccc6-7)cc5c5cc(-c6ccc7c(c6)Cc6ccccc6-7)ccc54)c3)cc(-c3cccs3)c2)cc1.
What is the InChIKey of 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane?
The InChIKey is BVZYBVCDXNHLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H49NS2.C44H27Br2N.C22H23BO2S.CH4/c1-3-13-48(14-4-1)56-37-58(42-64(40-56)75-21-11-31-78-75)60-39-61(59-38-57(49-15-5-2-6-16-49)41-65(43-59)76-22-12-32-79-76)45-66(44-60)77-73-29-25-52(50-23-27-69-62(33-50)35-54-17-7-9-19-67(54)69)46-71(73)72-47-53(26-30-74(72)77)51-24-28-70-63(34-51)36-55-18-8-10-20-68(55)70;45-34-23-35(46)25-36(24-34)47-43-15-11-28(26-9-13-39-32(17-26)19-30-5-1-3-7-37(30)39)21-41(43)42-22-29(12-16-44(42)47)27-10-14-40-33(18-27)20-31-6-2-4-8-38(31)40;1-21(2)22(3,4)25-23(24-21)19-14-17(16-9-6-5-7-10-16)13-18(15-19)20-11-8-12-26-20;/h1-34,37-47H,35-36H2;1-18,21-25H,19-20H2;5-15H,1-4H3;1H4.
What are the key properties of 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane?
9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane has a molecular weight of 2148.23 g/mol, XLogP of 40.19, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(3-phenyl-5-thiophen-2-ylphenyl)phenyl]-3,6-bis(9H-fluoren-2-yl)carbazole;9-(3,5-dibromophenyl)-3,6-bis(9H-fluoren-2-yl)carbazole;methane;4,4,5,5-tetramethyl-2-(3-phenyl-5-thiophen-2-ylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157479613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).