3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine

C204H150B3ClN16 — CID 160992803

About 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine

3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine (PubChem CID 160992803) has the molecular formula C204H150B3ClN16 and a molecular weight of 2893.44 g/mol. Its IUPAC name is 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine.

Molecular Properties

• Compound Name: 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine
• PubChem CID: 160992803
• Molecular Formula: C204H150B3ClN16
• Molecular Weight: 2893.44 g/mol
• Exact Mass: 2891.22
• IUPAC Name: 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine
• SMILES: Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N3c4ccccc4B4c6ccccc6N(c6ccccc6)c6cc(c2c3c64)N5c2ccccc2)cc1.c1ccc(Nc2cccc(Nc3ccccc3)c2)cc1
• InChI: InChI=1S/C78H51B3N6.C78H60N6.C30H23ClN2.C18H16N2/c1-7-27-52(28-8-1)82(53-29-9-2-10-30-53)58-47-71-75-72(48-58)85(56-35-15-5-16-36-56)69-50-70-64(49-63(69)80(75)60-40-20-24-44-66(60)83(71)54-31-11-3-12-32-54)81-62-42-22-26-46-68(62)87-67-45-25-21-41-61(67)79-59-39-19-23-43-65(59)84(55-33-13-4-14-34-55)73-51-74(77(81)78(87)76(73)79)86(70)57-37-17-6-18-38-57;1-11-32-61(33-12-1)79(62-34-13-2-14-35-62)73-55-74(80(63-36-15-3-16-37-63)64-38-17-4-18-39-64)58-77(57-73)83(69-48-27-9-28-49-69)71-52-31-53-72(54-71)84(70-50-29-10-30-51-70)78-59-75(81(65-40-19-5-20-41-65)66-42-21-6-22-43-66)56-76(60-78)82(67-44-23-7-24-45-67)68-46-25-8-26-47-68;31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-51H;1-60H;1-23H;1-14,19-20H
• InChIKey: TUWBERCTRDEZIV-UHFFFAOYSA-N
• XLogP: 50.89
• TPSA: 69.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.44
LogP ≤ 5	50.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine?

The IUPAC name of 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine (CID 160992803) is 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine.

What is the SMILES notation for 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine?

The canonical SMILES for 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine is Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c3)c2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccccc3N3c4ccccc4B4c6ccccc6N(c6ccccc6)c6cc(c2c3c64)N5c2ccccc2)cc1.c1ccc(Nc2cccc(Nc3ccccc3)c2)cc1.

What is the InChIKey of 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine?

The InChIKey is TUWBERCTRDEZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51B3N6.C78H60N6.C30H23ClN2.C18H16N2/c1-7-27-52(28-8-1)82(53-29-9-2-10-30-53)58-47-71-75-72(48-58)85(56-35-15-5-16-36-56)69-50-70-64(49-63(69)80(75)60-40-20-24-44-66(60)83(71)54-31-11-3-12-32-54)81-62-42-22-26-46-68(62)87-67-45-25-21-41-61(67)79-59-39-19-23-43-65(59)84(55-33-13-4-14-34-55)73-51-74(77(81)78(87)76(73)79)86(70)57-37-17-6-18-38-57;1-11-32-61(33-12-1)79(62-34-13-2-14-35-62)73-55-74(80(63-36-15-3-16-37-63)64-38-17-4-18-39-64)58-77(57-73)83(69-48-27-9-28-49-69)71-52-31-53-72(54-71)84(70-50-29-10-30-51-70)78-59-75(81(65-40-19-5-20-41-65)66-42-21-6-22-43-66)56-76(60-78)82(67-44-23-7-24-45-67)68-46-25-8-26-47-68;31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-51H;1-60H;1-23H;1-14,19-20H.

What are the key properties of 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine?

3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine has a molecular weight of 2893.44 g/mol, XLogP of 50.89, 35 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;1-N,3-N-diphenylbenzene-1,3-diamine;N,N,26,32,36,42-hexakis-phenyl-12,26,32,36,42-pentaza-1,5,19-triboratridecacyclo[35.11.1.127,31.02,35.04,33.05,30.06,11.012,29.013,18.019,28.020,25.041,49.043,48]pentaconta-2,4(33),6,8,10,13,15,17,20,22,24,27(50),28,30,34,37,39,41(49),43,45,47-henicosaen-39-amine is sourced from PubChem (CID 160992803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).