N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline

C52H58N2 — CID 58471857

IUPACN-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5cc(C)c(C)cc5C)c5c(C)cccc5C)cc4)CCCCC3)cc2)c2c(C)cccc2C)cc1C
InChIInChI=1S/C52H58N2/c1-34-16-14-17-35(2)50(34)53(48-32-40(7)38(5)30-42(48)9)46-24-20-44(21-25-46)52(28-12-11-13-29-52)45-22-26-47(27-23-45)54(51-36(3)18-15-19-37(51)4)49-33-41(8)39(6)31-43(49)10/h14-27,30-33H,11-13,28-29H2,1-10H3
InChIKeyRLCALOIVUDZEFB-UHFFFAOYSA-N
MW711.05 g/mol
LogP14.96
Rot. Bonds8

About N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline

N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline (PubChem CID 58471857) has the molecular formula C52H58N2 and a molecular weight of 711.05 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline
PubChem CID58471857
Molecular FormulaC52H58N2
Molecular Weight711.05 g/mol
Exact Mass710.46
IUPAC NameN-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5cc(C)c(C)cc5C)c5c(C)cccc5C)cc4)CCCCC3)cc2)c2c(C)cccc2C)cc1C
InChIInChI=1S/C52H58N2/c1-34-16-14-17-35(2)50(34)53(48-32-40(7)38(5)30-42(48)9)46-24-20-44(21-25-46)52(28-12-11-13-29-52)45-22-26-47(27-23-45)54(51-36(3)18-15-19-37(51)4)49-33-41(8)39(6)31-43(49)10/h14-27,30-33H,11-13,28-29H2,1-10H3
InChIKeyRLCALOIVUDZEFB-UHFFFAOYSA-N
XLogP14.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.05
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline?
The IUPAC name of N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline (CID 58471857) is N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline is Cc1cc(C)c(N(c2ccc(C3(c4ccc(N(c5cc(C)c(C)cc5C)c5c(C)cccc5C)cc4)CCCCC3)cc2)c2c(C)cccc2C)cc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline?
The InChIKey is RLCALOIVUDZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58N2/c1-34-16-14-17-35(2)50(34)53(48-32-40(7)38(5)30-42(48)9)46-24-20-44(21-25-46)52(28-12-11-13-29-52)45-22-26-47(27-23-45)54(51-36(3)18-15-19-37(51)4)49-33-41(8)39(6)31-43(49)10/h14-27,30-33H,11-13,28-29H2,1-10H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline?
N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline has a molecular weight of 711.05 g/mol, XLogP of 14.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-[4-[1-[4-(N-(2,6-dimethylphenyl)-2,4,5-trimethylanilino)phenyl]cyclohexyl]phenyl]-2,4,5-trimethylaniline is sourced from PubChem (CID 58471857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).