N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C198H171N9 — CID 158435448

IUPACN-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c3)cc2)c2cccc(C)c2)c1.Cc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/3C66H57N3/c1-46-7-25-58(26-8-46)67(59-27-9-47(2)10-28-59)64-37-19-52(20-38-64)55-43-56(53-21-39-65(40-22-53)68(60-29-11-48(3)12-30-60)61-31-13-49(4)14-32-61)45-57(44-55)54-23-41-66(42-24-54)69(62-33-15-50(5)16-34-62)63-35-17-51(6)18-36-63;1-46-13-7-19-61(37-46)67(62-20-8-14-47(2)38-62)58-31-25-52(26-32-58)55-43-56(53-27-33-59(34-28-53)68(63-21-9-15-48(3)39-63)64-22-10-16-49(4)40-64)45-57(44-55)54-29-35-60(36-30-54)69(65-23-11-17-50(5)41-65)66-24-12-18-51(6)42-66;1-46-19-7-13-25-61(46)67(62-26-14-8-20-47(62)2)58-37-31-52(32-38-58)55-43-56(53-33-39-59(40-34-53)68(63-27-15-9-21-48(63)3)64-28-16-10-22-49(64)4)45-57(44-55)54-35-41-60(42-36-54)69(65-29-17-11-23-50(65)5)66-30-18-12-24-51(66)6/h3*7-45H,1-6H3
InChIKeyHCEAJYUOZSDWMI-UHFFFAOYSA-N
MW2676.61 g/mol
LogP56.84
Rot. Bonds36

About N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 158435448) has the molecular formula C198H171N9 and a molecular weight of 2676.61 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID158435448
Molecular FormulaC198H171N9
Molecular Weight2676.61 g/mol
Exact Mass2674.37
IUPAC NameN-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c3)cc2)c2cccc(C)c2)c1.Cc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/3C66H57N3/c1-46-7-25-58(26-8-46)67(59-27-9-47(2)10-28-59)64-37-19-52(20-38-64)55-43-56(53-21-39-65(40-22-53)68(60-29-11-48(3)12-30-60)61-31-13-49(4)14-32-61)45-57(44-55)54-23-41-66(42-24-54)69(62-33-15-50(5)16-34-62)63-35-17-51(6)18-36-63;1-46-13-7-19-61(37-46)67(62-20-8-14-47(2)38-62)58-31-25-52(26-32-58)55-43-56(53-27-33-59(34-28-53)68(63-21-9-15-48(3)39-63)64-22-10-16-49(4)40-64)45-57(44-55)54-29-35-60(36-30-54)69(65-23-11-17-50(5)41-65)66-24-12-18-51(6)42-66;1-46-19-7-13-25-61(46)67(62-26-14-8-20-47(62)2)58-37-31-52(32-38-58)55-43-56(53-33-39-59(40-34-53)68(63-27-15-9-21-48(63)3)64-28-16-10-22-49(64)4)45-57(44-55)54-35-41-60(42-36-54)69(65-29-17-11-23-50(65)5)66-30-18-12-24-51(66)6/h3*7-45H,1-6H3
InChIKeyHCEAJYUOZSDWMI-UHFFFAOYSA-N
XLogP56.84
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002676.61
LogP ≤ 556.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-1-amine;N-(2-methylphenyl)-N-phenylnaphthalen-2-amine;N-(3-methylphenyl)-N-phenylnaphthalen-1-amine;N-(3-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158492638
1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(2-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(3-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2-methyl-3,5-diphenylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 162041133
3-N-[3-(4-methyl-N-[3-[4-[4-(4-methyl-N-(2-methylphenyl)anilino)-N-(2,4,6-trimethylphenyl)anilino]-N-naphthalen-2-ylanilino]phenyl]anilino)phenyl]-1-N-(3-methylphenyl)-1-N,3-N-bis(4-methylphenyl)benzene-1,3-diamine
CID 90265205
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
N-[4-[3,5-bis[4-(N-(2-ethylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 20688280
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 158435448) is N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)cc(-c4ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc4)c3)cc2)c2cccc(C)c2)c1.Cc1ccccc1N(c1ccc(-c2cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)cc(-c3ccc(N(c4ccccc4C)c4ccccc4C)cc3)c2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is HCEAJYUOZSDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C66H57N3/c1-46-7-25-58(26-8-46)67(59-27-9-47(2)10-28-59)64-37-19-52(20-38-64)55-43-56(53-21-39-65(40-22-53)68(60-29-11-48(3)12-30-60)61-31-13-49(4)14-32-61)45-57(44-55)54-23-41-66(42-24-54)69(62-33-15-50(5)16-34-62)63-35-17-51(6)18-36-63;1-46-13-7-19-61(37-46)67(62-20-8-14-47(2)38-62)58-31-25-52(26-32-58)55-43-56(53-27-33-59(34-28-53)68(63-21-9-15-48(3)39-63)64-22-10-16-49(4)40-64)45-57(44-55)54-29-35-60(36-30-54)69(65-23-11-17-50(5)41-65)66-24-12-18-51(6)42-66;1-46-19-7-13-25-61(46)67(62-26-14-8-20-47(62)2)58-37-31-52(32-38-58)55-43-56(53-33-39-59(40-34-53)68(63-27-15-9-21-48(63)3)64-28-16-10-22-49(64)4)45-57(44-55)54-35-41-60(42-36-54)69(65-29-17-11-23-50(65)5)66-30-18-12-24-51(66)6/h3*7-45H,1-6H3.
What are the key properties of N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 2676.61 g/mol, XLogP of 56.84, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-[3,5-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 158435448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).