2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline

C54H62N2 — CID 166506077

IUPAC2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
SMILESCc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)CCCCC3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C54H62N2/c1-34-26-38(5)50(39(6)27-34)55(51-40(7)28-35(2)29-41(51)8)48-20-16-46(17-21-48)54(24-14-13-15-25-54)47-18-22-49(23-19-47)56(52-42(9)30-36(3)31-43(52)10)53-44(11)32-37(4)33-45(53)12/h16-23,26-33H,13-15,24-25H2,1-12H3
InChIKeyALDKHITVQRGSLI-UHFFFAOYSA-N
MW739.10 g/mol
LogP15.58
Rot. Bonds8

About 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline

2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline (PubChem CID 166506077) has the molecular formula C54H62N2 and a molecular weight of 739.10 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
PubChem CID166506077
Molecular FormulaC54H62N2
Molecular Weight739.10 g/mol
Exact Mass738.49
IUPAC Name2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
SMILESCc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)CCCCC3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C54H62N2/c1-34-26-38(5)50(39(6)27-34)55(51-40(7)28-35(2)29-41(51)8)48-20-16-46(17-21-48)54(24-14-13-15-25-54)47-18-22-49(23-19-47)56(52-42(9)30-36(3)31-43(52)10)53-44(11)32-37(4)33-45(53)12/h16-23,26-33H,13-15,24-25H2,1-12H3
InChIKeyALDKHITVQRGSLI-UHFFFAOYSA-N
XLogP15.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.10
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline (CID 166506077) is 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline is Cc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)cc4)CCCCC3)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?
The InChIKey is ALDKHITVQRGSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62N2/c1-34-26-38(5)50(39(6)27-34)55(51-40(7)28-35(2)29-41(51)8)48-20-16-46(17-21-48)54(24-14-13-15-25-54)47-18-22-49(23-19-47)56(52-42(9)30-36(3)31-43(52)10)53-44(11)32-37(4)33-45(53)12/h16-23,26-33H,13-15,24-25H2,1-12H3.
What are the key properties of 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline?
2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline has a molecular weight of 739.10 g/mol, XLogP of 15.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)-N-[4-[1-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline is sourced from PubChem (CID 166506077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).