4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline

C64H74N2 — CID 168810453

IUPAC4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)CCCCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C64H74N2/c1-60(2,3)47-21-33-53(34-22-47)65(54-35-23-48(24-36-54)61(4,5)6)57-41-29-51(30-42-57)64(45-17-16-20-59(64)46-18-14-13-15-19-46)52-31-43-58(44-32-52)66(55-37-25-49(26-38-55)62(7,8)9)56-39-27-50(28-40-56)63(10,11)12/h13-15,18-19,21-44,59H,16-17,20,45H2,1-12H3
InChIKeyTZHZKCXUDVDZMR-UHFFFAOYSA-N
MW871.31 g/mol
LogP18.46
Rot. Bonds9

About 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline

4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline (PubChem CID 168810453) has the molecular formula C64H74N2 and a molecular weight of 871.31 g/mol. Its IUPAC name is 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline
PubChem CID168810453
Molecular FormulaC64H74N2
Molecular Weight871.31 g/mol
Exact Mass870.59
IUPAC Name4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)CCCCC3c3ccccc3)cc2)cc1
InChIInChI=1S/C64H74N2/c1-60(2,3)47-21-33-53(34-22-47)65(54-35-23-48(24-36-54)61(4,5)6)57-41-29-51(30-42-57)64(45-17-16-20-59(64)46-18-14-13-15-19-46)52-31-43-58(44-32-52)66(55-37-25-49(26-38-55)62(7,8)9)56-39-27-50(28-40-56)63(10,11)12/h13-15,18-19,21-44,59H,16-17,20,45H2,1-12H3
InChIKeyTZHZKCXUDVDZMR-UHFFFAOYSA-N
XLogP18.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.31
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline?
The IUPAC name of 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline (CID 168810453) is 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C3(c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4)CCCCC3c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline?
The InChIKey is TZHZKCXUDVDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H74N2/c1-60(2,3)47-21-33-53(34-22-47)65(54-35-23-48(24-36-54)61(4,5)6)57-41-29-51(30-42-57)64(45-17-16-20-59(64)46-18-14-13-15-19-46)52-31-43-58(44-32-52)66(55-37-25-49(26-38-55)62(7,8)9)56-39-27-50(28-40-56)63(10,11)12/h13-15,18-19,21-44,59H,16-17,20,45H2,1-12H3.
What are the key properties of 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline?
4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline has a molecular weight of 871.31 g/mol, XLogP of 18.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-phenylcyclohexyl]-N,N-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 168810453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).