4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C239H184N16OSi — CID 157139087

IUPAC4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.Cc1ccc2ccccc2c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C57H42N6.C50H44N2.C46H36N2.C44H33N3OSi.C42H29N3/c1-7-19-46(20-8-1)61(47-21-9-2-10-22-47)52-37-31-43(32-38-52)55-58-56(44-33-39-53(40-34-44)62(48-23-11-3-12-24-48)49-25-13-4-14-26-49)60-57(59-55)45-35-41-54(42-36-45)63(50-27-15-5-16-28-50)51-29-17-6-18-30-51;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-33-21-23-37-13-9-11-19-43(37)45(33)47(39-15-5-3-6-16-39)41-29-25-35(26-30-41)36-27-31-42(32-28-36)48(40-17-7-4-8-18-40)46-34(2)22-24-38-14-10-12-20-44(38)46;1-6-16-36(17-7-1)47(37-18-8-2-9-19-37)38-30-26-34(27-31-38)43-45-46-44(48-43)35-28-32-42(33-29-35)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-42H;7-32H,1-6H3;3-32H,1-2H3;1-33H;1-29H
InChIKeyAJZAYPZCJNFMOT-UHFFFAOYSA-N
MW3324.30 g/mol
LogP62.55
Rot. Bonds40

About 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine

4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 157139087) has the molecular formula C239H184N16OSi and a molecular weight of 3324.30 g/mol. Its IUPAC name is 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID157139087
Molecular FormulaC239H184N16OSi
Molecular Weight3324.30 g/mol
Exact Mass3321.46
IUPAC Name4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.Cc1ccc2ccccc2c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
InChIInChI=1S/C57H42N6.C50H44N2.C46H36N2.C44H33N3OSi.C42H29N3/c1-7-19-46(20-8-1)61(47-21-9-2-10-22-47)52-37-31-43(32-38-52)55-58-56(44-33-39-53(40-34-44)62(48-23-11-3-12-24-48)49-25-13-4-14-26-49)60-57(59-55)45-35-41-54(42-36-45)63(50-27-15-5-16-28-50)51-29-17-6-18-30-51;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-33-21-23-37-13-9-11-19-43(37)45(33)47(39-15-5-3-6-16-39)41-29-25-35(26-30-41)36-27-31-42(32-28-36)48(40-17-7-4-8-18-40)46-34(2)22-24-38-14-10-12-20-44(38)46;1-6-16-36(17-7-1)47(37-18-8-2-9-19-37)38-30-26-34(27-31-38)43-45-46-44(48-43)35-28-32-42(33-29-35)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-42H;7-32H,1-6H3;3-32H,1-2H3;1-33H;1-29H
InChIKeyAJZAYPZCJNFMOT-UHFFFAOYSA-N
XLogP62.55
TPSA116.61 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds40
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003324.30
LogP ≤ 562.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 157139087) is 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is Cc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)c(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc34)c3ccccc23)cc1.Cc1ccc2ccccc2c1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3c(C)ccc4ccccc34)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)nc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is AJZAYPZCJNFMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N6.C50H44N2.C46H36N2.C44H33N3OSi.C42H29N3/c1-7-19-46(20-8-1)61(47-21-9-2-10-22-47)52-37-31-43(32-38-52)55-58-56(44-33-39-53(40-34-44)62(48-23-11-3-12-24-48)49-25-13-4-14-26-49)60-57(59-55)45-35-41-54(42-36-45)63(50-27-15-5-16-28-50)51-29-17-6-18-30-51;1-33-15-23-39(24-16-33)51(40-25-17-34(2)18-26-40)49-37(5)31-47(43-11-7-9-13-45(43)49)48-32-38(6)50(46-14-10-8-12-44(46)48)52(41-27-19-35(3)20-28-41)42-29-21-36(4)22-30-42;1-33-21-23-37-13-9-11-19-43(37)45(33)47(39-15-5-3-6-16-39)41-29-25-35(26-30-41)36-27-31-42(32-28-36)48(40-17-7-4-8-18-40)46-34(2)22-24-38-14-10-12-20-44(38)46;1-6-16-36(17-7-1)47(37-18-8-2-9-19-37)38-30-26-34(27-31-38)43-45-46-44(48-43)35-28-32-42(33-29-35)49(39-20-10-3-11-21-39,40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-2-12-30(13-3-1)43(31-22-26-33(27-23-31)44-39-18-8-4-14-35(39)36-15-5-9-19-40(36)44)32-24-28-34(29-25-32)45-41-20-10-6-16-37(41)38-17-7-11-21-42(38)45/h1-42H;7-32H,1-6H3;3-32H,1-2H3;1-33H;1-29H.
What are the key properties of 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 3324.30 g/mol, XLogP of 62.55, 40 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]-N,N-diphenylaniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;N,N-diphenyl-4-[5-(4-triphenylsilylphenyl)-1,3,4-oxadiazol-2-yl]aniline;2-methyl-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N,N-bis(4-methylphenyl)naphthalen-1-amine;2-methyl-N-[4-[4-(N-(2-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 157139087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).