2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline

C73H70N2 — CID 87276205

IUPAC2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline
SMILESCc1cc(C)c(N(c2cc(C)c(C)cc2C)c2cc(-c3ccccc3)ccc2-c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)cc4N(c4cc(C)c(C)cc4C)c4cc(C)c(C)cc4C)cc3)cc2)cc1C
InChIInChI=1S/C73H70N2/c1-46-35-54(9)68(39-50(46)5)74(69-40-51(6)47(2)36-55(69)10)72-44-64(60-19-15-13-16-20-60)31-33-66(72)62-27-23-58(24-28-62)43-59-25-29-63(30-26-59)67-34-32-65(61-21-17-14-18-22-61)45-73(67)75(70-41-52(7)48(3)37-56(70)11)71-42-53(8)49(4)38-57(71)12/h13-42,44-45H,43H2,1-12H3
InChIKeyOCOFAGUAWPBZQY-UHFFFAOYSA-N
MW975.38 g/mol
LogP20.59
Rot. Bonds12

About 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline

2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline (PubChem CID 87276205) has the molecular formula C73H70N2 and a molecular weight of 975.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline
PubChem CID87276205
Molecular FormulaC73H70N2
Molecular Weight975.38 g/mol
Exact Mass974.55
IUPAC Name2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline
SMILESCc1cc(C)c(N(c2cc(C)c(C)cc2C)c2cc(-c3ccccc3)ccc2-c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)cc4N(c4cc(C)c(C)cc4C)c4cc(C)c(C)cc4C)cc3)cc2)cc1C
InChIInChI=1S/C73H70N2/c1-46-35-54(9)68(39-50(46)5)74(69-40-51(6)47(2)36-55(69)10)72-44-64(60-19-15-13-16-20-60)31-33-66(72)62-27-23-58(24-28-62)43-59-25-29-63(30-26-59)67-34-32-65(61-21-17-14-18-22-61)45-73(67)75(70-41-52(7)48(3)37-56(70)11)71-42-53(8)49(4)38-57(71)12/h13-42,44-45H,43H2,1-12H3
InChIKeyOCOFAGUAWPBZQY-UHFFFAOYSA-N
XLogP20.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.38
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline with MolForge

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Related Compounds

N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
CID 121322800
1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 129062553
1-N,6-N-bis(2,5-diphenylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 129062677
N,2,4,5-tetramethyl-N-(4-phenylphenyl)aniline
CID 134561199
1-methyl-4-phenyl-2-(4-propylphenyl)benzene
CID 123627409
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
2-methyl-4-[3-methyl-4-(3-methyl-4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(3-methyl-4-phenylphenyl)-N-(2-phenylphenyl)aniline
CID 121323397

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline?
The IUPAC name of 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline (CID 87276205) is 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline.
What is the SMILES notation for 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline?
The canonical SMILES for 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline is Cc1cc(C)c(N(c2cc(C)c(C)cc2C)c2cc(-c3ccccc3)ccc2-c2ccc(Cc3ccc(-c4ccc(-c5ccccc5)cc4N(c4cc(C)c(C)cc4C)c4cc(C)c(C)cc4C)cc3)cc2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline?
The InChIKey is OCOFAGUAWPBZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H70N2/c1-46-35-54(9)68(39-50(46)5)74(69-40-51(6)47(2)36-55(69)10)72-44-64(60-19-15-13-16-20-60)31-33-66(72)62-27-23-58(24-28-62)43-59-25-29-63(30-26-59)67-34-32-65(61-21-17-14-18-22-61)45-73(67)75(70-41-52(7)48(3)37-56(70)11)71-42-53(8)49(4)38-57(71)12/h13-42,44-45H,43H2,1-12H3.
What are the key properties of 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline?
2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline has a molecular weight of 975.38 g/mol, XLogP of 20.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[5-phenyl-2-[4-[[4-[4-phenyl-2-(2,4,5-trimethyl-N-(2,4,5-trimethylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(2,4,5-trimethylphenyl)aniline is sourced from PubChem (CID 87276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).