1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine

C60H54N4 — CID 162023240

IUPAC1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
SMILESCc1cccc(N(c2ccc(N(C)c3ccc(-c4ccc(N(C)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C60H54N4/c1-43-14-10-20-55(38-43)63(56-21-11-15-44(2)39-56)52-32-28-50(29-33-52)61(5)49-26-24-48(25-27-49)59-37-36-54(42-60(59)47-18-8-7-9-19-47)62(6)51-30-34-53(35-31-51)64(57-22-12-16-45(3)40-57)58-23-13-17-46(4)41-58/h7-42H,1-6H3
InChIKeyYVAGWMRCIUMIQR-UHFFFAOYSA-N
MW831.12 g/mol
LogP16.73
Rot. Bonds12

About 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine

1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine (PubChem CID 162023240) has the molecular formula C60H54N4 and a molecular weight of 831.12 g/mol. Its IUPAC name is 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
PubChem CID162023240
Molecular FormulaC60H54N4
Molecular Weight831.12 g/mol
Exact Mass830.43
IUPAC Name1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
SMILESCc1cccc(N(c2ccc(N(C)c3ccc(-c4ccc(N(C)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C60H54N4/c1-43-14-10-20-55(38-43)63(56-21-11-15-44(2)39-56)52-32-28-50(29-33-52)61(5)49-26-24-48(25-27-49)59-37-36-54(42-60(59)47-18-8-7-9-19-47)62(6)51-30-34-53(35-31-51)64(57-22-12-16-45(3)40-57)58-23-13-17-46(4)41-58/h7-42H,1-6H3
InChIKeyYVAGWMRCIUMIQR-UHFFFAOYSA-N
XLogP16.73
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.12
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
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
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine (CID 162023240) is 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine is Cc1cccc(N(c2ccc(N(C)c3ccc(-c4ccc(N(C)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cc4-c4ccccc4)cc3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine?
The InChIKey is YVAGWMRCIUMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4/c1-43-14-10-20-55(38-43)63(56-21-11-15-44(2)39-56)52-32-28-50(29-33-52)61(5)49-26-24-48(25-27-49)59-37-36-54(42-60(59)47-18-8-7-9-19-47)62(6)51-30-34-53(35-31-51)64(57-22-12-16-45(3)40-57)58-23-13-17-46(4)41-58/h7-42H,1-6H3.
What are the key properties of 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine?
1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine has a molecular weight of 831.12 g/mol, XLogP of 16.73, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 162023240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).