2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine

C227H201B2N15O3S2 — CID 161053153

IUPAC2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1cc(C)c(B(c2ccc(-c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)s3)s2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H60N6.C63H51N3.C44H48B2S2.C42H42N6O3/c1-10-28-61(29-11-1)79(62-30-12-2-13-31-62)70-46-52-73(53-47-70)82(67-40-22-7-23-41-67)76-58-77(83(68-42-24-8-25-43-68)74-54-48-71(49-55-74)80(63-32-14-3-15-33-63)64-34-16-4-17-35-64)60-78(59-76)84(69-44-26-9-27-45-69)75-56-50-72(51-57-75)81(65-36-18-5-19-37-65)66-38-20-6-21-39-66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-25-17-29(5)41(30(6)18-25)45(42-31(7)19-26(2)20-32(42)8)39-15-13-37(47-39)38-14-16-40(48-38)46(43-33(9)21-27(3)22-34(43)10)44-35(11)23-28(4)24-36(44)12;1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9/h1-60H;4-45H,1-3H3;13-24H,1-12H3;10-24H,1-9H3
InChIKeyUCKBCLLMHWWZQH-UHFFFAOYSA-N
MW3272.96 g/mol
LogP59.47
Rot. Bonds43

About 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine

2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine (PubChem CID 161053153) has the molecular formula C227H201B2N15O3S2 and a molecular weight of 3272.96 g/mol. Its IUPAC name is 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine.

Molecular Properties

Compound Name2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine
PubChem CID161053153
Molecular FormulaC227H201B2N15O3S2
Molecular Weight3272.96 g/mol
Exact Mass3270.57
IUPAC Name2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1cc(C)c(B(c2ccc(-c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)s3)s2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C78H60N6.C63H51N3.C44H48B2S2.C42H42N6O3/c1-10-28-61(29-11-1)79(62-30-12-2-13-31-62)70-46-52-73(53-47-70)82(67-40-22-7-23-41-67)76-58-77(83(68-42-24-8-25-43-68)74-54-48-71(49-55-74)80(63-32-14-3-15-33-63)64-34-16-4-17-35-64)60-78(59-76)84(69-44-26-9-27-45-69)75-56-50-72(51-57-75)81(65-36-18-5-19-37-65)66-38-20-6-21-39-66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-25-17-29(5)41(30(6)18-25)45(42-31(7)19-26(2)20-32(42)8)39-15-13-37(47-39)38-14-16-40(48-38)46(43-33(9)21-27(3)22-34(43)10)44-35(11)23-28(4)24-36(44)12;1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9/h1-60H;4-45H,1-3H3;13-24H,1-12H3;10-24H,1-9H3
InChIKeyUCKBCLLMHWWZQH-UHFFFAOYSA-N
XLogP59.47
TPSA145.92 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003272.96
LogP ≤ 559.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine?
The IUPAC name of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine (CID 161053153) is 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine.
What is the SMILES notation for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine?
The canonical SMILES for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine is CC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.Cc1cc(C)c(B(c2ccc(-c3ccc(B(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)s3)s2)c2c(C)cc(C)cc2C)c(C)c1.Cc1cccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5ccccc5)c5cccc(C)c5)cc4)c3)cc2)c1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine?
The InChIKey is UCKBCLLMHWWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N6.C63H51N3.C44H48B2S2.C42H42N6O3/c1-10-28-61(29-11-1)79(62-30-12-2-13-31-62)70-46-52-73(53-47-70)82(67-40-22-7-23-41-67)76-58-77(83(68-42-24-8-25-43-68)74-54-48-71(49-55-74)80(63-32-14-3-15-33-63)64-34-16-4-17-35-64)60-78(59-76)84(69-44-26-9-27-45-69)75-56-50-72(51-57-75)81(65-36-18-5-19-37-65)66-38-20-6-21-39-66;1-46-16-13-25-61(40-46)64(55-19-7-4-8-20-55)58-34-28-49(29-35-58)52-43-53(50-30-36-59(37-31-50)65(56-21-9-5-10-22-56)62-26-14-17-47(2)41-62)45-54(44-52)51-32-38-60(39-33-51)66(57-23-11-6-12-24-57)63-27-15-18-48(3)42-63;1-25-17-29(5)41(30(6)18-25)45(42-31(7)19-26(2)20-32(42)8)39-15-13-37(47-39)38-14-16-40(48-38)46(43-33(9)21-27(3)22-34(43)10)44-35(11)23-28(4)24-36(44)12;1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9/h1-60H;4-45H,1-3H3;13-24H,1-12H3;10-24H,1-9H3.
What are the key properties of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine?
2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine has a molecular weight of 3272.96 g/mol, XLogP of 59.47, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;N-[4-[3,5-bis[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-phenylaniline;[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;1-N,3-N,5-N-triphenyl-1-N,3-N,5-N-tris[4-(N-phenylanilino)phenyl]benzene-1,3,5-triamine is sourced from PubChem (CID 161053153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).