(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide

C152H105B5Br4F17GaN4-6 — CID 158266104

IUPAC(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide
SMILESBrc1ccc([B-](c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cc1ccc([B-](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Fc1cc(F)cc([Ga-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc([B-](c4ccccc4)(c4ccccc4)c4ccccc4)n3)n2)cc1
InChIInChI=1S/C46H36B2N2.C30H22BN2.C28H19BF9.C24H16BBr4.4C6H3F2.Ga/c1-7-21-37(22-8-1)47(38-23-9-2-10-24-38,39-25-11-3-12-26-39)45-35-19-33-43(49-45)44-34-20-36-46(50-44)48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42;1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30;1-18-2-10-22(11-3-18)29(23-12-4-19(5-13-23)26(30,31)32,24-14-6-20(7-15-24)27(33,34)35)25-16-8-21(9-17-25)28(36,37)38;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;4*7-5-2-1-3-6(8)4-5;/h1-36H;1-22H;2-17H,1H3;1-16H;4*2-4H;/q-2;3*-1;;;;;-1
InChIKeyGILOMXYHAIWBKT-UHFFFAOYSA-N
MW2753.90 g/mol
LogP25.78
Rot. Bonds25

About (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide

(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide (PubChem CID 158266104) has the molecular formula C152H105B5Br4F17GaN4-6 and a molecular weight of 2753.90 g/mol. Its IUPAC name is (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide.

Molecular Properties

Compound Name(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide
PubChem CID158266104
Molecular FormulaC152H105B5Br4F17GaN4-6
Molecular Weight2753.90 g/mol
Exact Mass2748.46
IUPAC Name(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide
SMILESBrc1ccc([B-](c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cc1ccc([B-](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Fc1cc(F)cc([Ga-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc([B-](c4ccccc4)(c4ccccc4)c4ccccc4)n3)n2)cc1
InChIInChI=1S/C46H36B2N2.C30H22BN2.C28H19BF9.C24H16BBr4.4C6H3F2.Ga/c1-7-21-37(22-8-1)47(38-23-9-2-10-24-38,39-25-11-3-12-26-39)45-35-19-33-43(49-45)44-34-20-36-46(50-44)48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42;1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30;1-18-2-10-22(11-3-18)29(23-12-4-19(5-13-23)26(30,31)32,24-14-6-20(7-15-24)27(33,34)35)25-16-8-21(9-17-25)28(36,37)38;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;4*7-5-2-1-3-6(8)4-5;/h1-36H;1-22H;2-17H,1H3;1-16H;4*2-4H;/q-2;3*-1;;;;;-1
InChIKeyGILOMXYHAIWBKT-UHFFFAOYSA-N
XLogP25.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002753.90
LogP ≤ 525.78
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 (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide with MolForge

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Related Compounds

tris(4,7-diphenyl-1,10-phenanthroline)-rhodium (III)
CID 11979749
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II)
CID 11979786
Tris(diphenylphenanthroline)cobalt(III)
CID 11979785
Tris(2,3,4,5,6-pentafluorophenyl)-(1,10-phenanthrolin-1-ium-1-yl)boranuide
CID 139184173
4,7-Bis(4-bromophenyl)-1,10-phenanthroline
CID 18759610
4-[2,7-dibromo-10-[4-(N-phenylanilino)phenyl]quinoxalino[3,2-f][1,10]phenanthrolin-13-yl]-N,N-diphenylaniline
CID 139262953
5-(2,4-Difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline
CID 58161740
5,8-Bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline
CID 58161751
2-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline
CID 60135072
2-[4-[1,1,1,3,3,3-Hexafluoro-2-[3-methyl-4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]-2-methylphenyl]-1,10-phenanthroline
CID 60135079
2-[2-[1,1,1,3,3,3-Hexafluoro-2-[4-(1,10-phenanthrolin-2-yl)phenyl]propan-2-yl]phenyl]-1,10-phenanthroline
CID 60135089
4-[4-(1,1-Difluoroethyl)phenyl]-7-[4-(2,2,2-trifluoroethyl)phenyl]-1,10-phenanthroline
CID 71202852

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide?
The IUPAC name of (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide (CID 158266104) is (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide.
What is the SMILES notation for (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide?
The canonical SMILES for (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide is Brc1ccc([B-](c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.Cc1ccc([B-](c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.Fc1cc(F)cc([Ga-](c2cc(F)cc(F)c2)(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cc3cccnc3c3ncccc23)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc([B-](c4ccccc4)(c4ccccc4)c4ccccc4)n3)n2)cc1.
What is the InChIKey of (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide?
The InChIKey is GILOMXYHAIWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36B2N2.C30H22BN2.C28H19BF9.C24H16BBr4.4C6H3F2.Ga/c1-7-21-37(22-8-1)47(38-23-9-2-10-24-38,39-25-11-3-12-26-39)45-35-19-33-43(49-45)44-34-20-36-46(50-44)48(40-27-13-4-14-28-40,41-29-15-5-16-30-41)42-31-17-6-18-32-42;1-4-13-24(14-5-1)31(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28-22-23-12-10-20-32-29(23)30-27(28)19-11-21-33-30;1-18-2-10-22(11-3-18)29(23-12-4-19(5-13-23)26(30,31)32,24-14-6-20(7-15-24)27(33,34)35)25-16-8-21(9-17-25)28(36,37)38;26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;4*7-5-2-1-3-6(8)4-5;/h1-36H;1-22H;2-17H,1H3;1-16H;4*2-4H;/q-2;3*-1;;;;;-1.
What are the key properties of (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide?
(4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide has a molecular weight of 2753.90 g/mol, XLogP of 25.78, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-tris[4-(trifluoromethyl)phenyl]boranuide;1,10-phenanthrolin-5-yl(triphenyl)boranuide;tetrakis(4-bromophenyl)boranuide;tetrakis(3,5-difluorophenyl)gallanuide;triphenyl-[6-(6-triphenylboranuidyl-2-pyridinyl)-2-pyridinyl]boranuide is sourced from PubChem (CID 158266104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).