tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C192H170B3Br3N12 — CID 165095962

About tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 165095962) has the molecular formula C192H170B3Br3N12 and a molecular weight of 2917.70 g/mol. Its IUPAC name is tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 165095962
• Molecular Formula: C192H170B3Br3N12
• Molecular Weight: 2917.70 g/mol
• Exact Mass: 2913.15
• IUPAC Name: tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: BrB(Br)Br.CC(C)c1ccccc1N(c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4C(C)C)c4ccccc4C(C)C)c3)c3ccccc3-c3ccccc3)c2)c1)c1ccccc1C(C)C.CC(C)c1ccccc1N(c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3C(C)C)c3ccccc3C(C)C)cc(c21)N4c1ccccc1-c1ccccc1)c1ccccc1C(C)C
• InChI: InChI=1S/C96H82B2N6.C96H88N6.BBr3/c1-63(2)73-43-21-28-50-82(73)102(83-51-29-22-44-74(83)64(3)4)71-57-91-95-93(59-71)101(70-41-19-12-20-42-70)89-62-90-81(61-80(89)97(95)78-48-26-33-55-87(78)99(91)68-37-15-10-16-38-68)98-79-49-27-34-56-88(79)100(69-39-17-11-18-40-69)92-58-72(60-94(96(92)98)104(90)86-54-32-25-47-77(86)67-35-13-9-14-36-67)103(84-52-30-23-45-75(84)65(5)6)85-53-31-24-46-76(85)66(7)8;1-69(2)87-52-27-32-57-92(87)101(93-58-33-28-53-88(93)70(3)4)85-65-81(97(74-40-17-10-18-41-74)75-42-19-11-20-43-75)63-83(67-85)99(78-48-25-14-26-49-78)79-50-37-51-80(62-79)100(96-61-36-31-56-91(96)73-38-15-9-16-39-73)84-64-82(98(76-44-21-12-22-45-76)77-46-23-13-24-47-77)66-86(68-84)102(94-59-34-29-54-89(94)71(5)6)95-60-35-30-55-90(95)72(7)8;2-1(3)4/h9-66H,1-8H3;9-72H,1-8H3
• InChIKey: XMXFMPIBYKBRDH-UHFFFAOYSA-N
• XLogP: 53.77
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 38
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2917.70
LogP ≤ 5	53.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 165095962) is tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is BrB(Br)Br.CC(C)c1ccccc1N(c1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4C(C)C)c4ccccc4C(C)C)c3)c3ccccc3-c3ccccc3)c2)c1)c1ccccc1C(C)C.CC(C)c1ccccc1N(c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3C(C)C)c3ccccc3C(C)C)cc(c21)N4c1ccccc1-c1ccccc1)c1ccccc1C(C)C.

What is the InChIKey of tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is XMXFMPIBYKBRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H82B2N6.C96H88N6.BBr3/c1-63(2)73-43-21-28-50-82(73)102(83-51-29-22-44-74(83)64(3)4)71-57-91-95-93(59-71)101(70-41-19-12-20-42-70)89-62-90-81(61-80(89)97(95)78-48-26-33-55-87(78)99(91)68-37-15-10-16-38-68)98-79-49-27-34-56-88(79)100(69-39-17-11-18-40-69)92-58-72(60-94(96(92)98)104(90)86-54-32-25-47-77(86)67-35-13-9-14-36-67)103(84-52-30-23-45-75(84)65(5)6)85-53-31-24-46-76(85)66(7)8;1-69(2)87-52-27-32-57-92(87)101(93-58-33-28-53-88(93)70(3)4)85-65-81(97(74-40-17-10-18-41-74)75-42-19-11-20-43-75)63-83(67-85)99(78-48-25-14-26-49-78)79-50-37-51-80(62-79)100(96-61-36-31-56-91(96)73-38-15-9-16-39-73)84-64-82(98(76-44-21-12-22-45-76)77-46-23-13-24-47-77)66-86(68-84)102(94-59-34-29-54-89(94)71(5)6)95-60-35-30-55-90(95)72(7)8;2-1(3)4/h9-66H,1-8H3;9-72H,1-8H3;.

What are the key properties of tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 2917.70 g/mol, XLogP of 53.77, 38 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tribromoborane;1-N,5-N,5-N-triphenyl-1-N-[3-(2-phenyl-N-[3-(N-phenylanilino)-5-(2-propan-2-yl-N-(2-propan-2-ylphenyl)anilino)phenyl]anilino)phenyl]-3-N,3-N-bis(2-propan-2-ylphenyl)benzene-1,3,5-triamine;12,18,28-triphenyl-22-(2-phenylphenyl)-15-N,15-N,25-N,25-N-tetrakis(2-propan-2-ylphenyl)-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 165095962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).