bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide

C216H188B6-6 — CID 162255306

IUPACbis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide
SMILESc1cc2c(cc1[B-](c1ccc3c(c1)CCC3)(c1ccc3c(c1)CCC3)c1ccc3c(c1)CCC3)CCC2.c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc([B-](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([B-](c2ccc3c(c2)CCC3)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C48H36B.C42H32B.C36H36B.C33H32B.C30H28B.C27H24B/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;1-5-13-33(14-6-1)36-21-27-40(28-22-36)43(39-19-11-4-12-20-39,41-29-23-37(24-30-41)34-15-7-2-8-16-34)42-31-25-38(26-32-42)35-17-9-3-10-18-35;1-5-25-13-17-33(21-29(25)9-1)37(34-18-14-26-6-2-10-30(26)22-34,35-19-15-27-7-3-11-31(27)23-35)36-20-16-28-8-4-12-32(28)24-36;1-2-13-30(14-3-1)34(31-18-15-24-7-4-10-27(24)21-31,32-19-16-25-8-5-11-28(25)22-32)33-20-17-26-9-6-12-29(26)23-33;1-3-13-27(14-4-1)31(28-15-5-2-6-16-28,29-19-17-23-9-7-11-25(23)21-29)30-20-18-24-10-8-12-26(24)22-30;1-4-13-24(14-5-1)28(25-15-6-2-7-16-25,26-17-8-3-9-18-26)27-20-19-22-11-10-12-23(22)21-27/h1-36H;1-32H;13-24H,1-12H2;1-3,13-23H,4-12H2;1-6,13-22H,7-12H2;1-9,13-21H,10-12H2/q6*-1
InChIKeyZYNCQUJDZIJDTF-UHFFFAOYSA-N
MW2848.75 g/mol
LogP34.94
Rot. Bonds31

About bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide

bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide (PubChem CID 162255306) has the molecular formula C216H188B6-6 and a molecular weight of 2848.75 g/mol. Its IUPAC name is bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide.

Molecular Properties

Compound Namebis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide
PubChem CID162255306
Molecular FormulaC216H188B6-6
Molecular Weight2848.75 g/mol
Exact Mass2847.53
IUPAC Namebis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide
SMILESc1cc2c(cc1[B-](c1ccc3c(c1)CCC3)(c1ccc3c(c1)CCC3)c1ccc3c(c1)CCC3)CCC2.c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc([B-](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([B-](c2ccc3c(c2)CCC3)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C48H36B.C42H32B.C36H36B.C33H32B.C30H28B.C27H24B/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;1-5-13-33(14-6-1)36-21-27-40(28-22-36)43(39-19-11-4-12-20-39,41-29-23-37(24-30-41)34-15-7-2-8-16-34)42-31-25-38(26-32-42)35-17-9-3-10-18-35;1-5-25-13-17-33(21-29(25)9-1)37(34-18-14-26-6-2-10-30(26)22-34,35-19-15-27-7-3-11-31(27)23-35)36-20-16-28-8-4-12-32(28)24-36;1-2-13-30(14-3-1)34(31-18-15-24-7-4-10-27(24)21-31,32-19-16-25-8-5-11-28(25)22-32)33-20-17-26-9-6-12-29(26)23-33;1-3-13-27(14-4-1)31(28-15-5-2-6-16-28,29-19-17-23-9-7-11-25(23)21-29)30-20-18-24-10-8-12-26(24)22-30;1-4-13-24(14-5-1)28(25-15-6-2-7-16-25,26-17-8-3-9-18-26)27-20-19-22-11-10-12-23(22)21-27/h1-36H;1-32H;13-24H,1-12H2;1-3,13-23H,4-12H2;1-6,13-22H,7-12H2;1-9,13-21H,10-12H2/q6*-1
InChIKeyZYNCQUJDZIJDTF-UHFFFAOYSA-N
XLogP34.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms222
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002848.75
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide?
The IUPAC name of bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide (CID 162255306) is bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide.
What is the SMILES notation for bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide?
The canonical SMILES for bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide is c1cc2c(cc1[B-](c1ccc3c(c1)CCC3)(c1ccc3c(c1)CCC3)c1ccc3c(c1)CCC3)CCC2.c1ccc(-c2ccc([B-](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc([B-](c3ccccc3)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc([B-](c2ccc3c(c2)CCC3)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccc3c(c2)CCC3)c2ccc3c(c2)CCC3)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide?
The InChIKey is ZYNCQUJDZIJDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36B.C42H32B.C36H36B.C33H32B.C30H28B.C27H24B/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40;1-5-13-33(14-6-1)36-21-27-40(28-22-36)43(39-19-11-4-12-20-39,41-29-23-37(24-30-41)34-15-7-2-8-16-34)42-31-25-38(26-32-42)35-17-9-3-10-18-35;1-5-25-13-17-33(21-29(25)9-1)37(34-18-14-26-6-2-10-30(26)22-34,35-19-15-27-7-3-11-31(27)23-35)36-20-16-28-8-4-12-32(28)24-36;1-2-13-30(14-3-1)34(31-18-15-24-7-4-10-27(24)21-31,32-19-16-25-8-5-11-28(25)22-32)33-20-17-26-9-6-12-29(26)23-33;1-3-13-27(14-4-1)31(28-15-5-2-6-16-28,29-19-17-23-9-7-11-25(23)21-29)30-20-18-24-10-8-12-26(24)22-30;1-4-13-24(14-5-1)28(25-15-6-2-7-16-25,26-17-8-3-9-18-26)27-20-19-22-11-10-12-23(22)21-27/h1-36H;1-32H;13-24H,1-12H2;1-3,13-23H,4-12H2;1-6,13-22H,7-12H2;1-9,13-21H,10-12H2/q6*-1.
What are the key properties of bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide?
bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide has a molecular weight of 2848.75 g/mol, XLogP of 34.94, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydro-1H-inden-5-yl)-diphenylboranuide;2,3-dihydro-1H-inden-5-yl(triphenyl)boranuide;phenyl-tris(4-phenylphenyl)boranuide;tetrakis(2,3-dihydro-1H-inden-5-yl)boranuide;tetrakis(4-phenylphenyl)boranuide;tris(2,3-dihydro-1H-inden-5-yl)-phenylboranuide is sourced from PubChem (CID 162255306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).