2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline

C72H68N2 — CID 20758354

IUPAC2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3c(C)c(C)c(-c4c(C)c(C)c(N(c5ccc(-c6ccc(C)cc6)cc5)c5ccc(-c6ccc(C)cc6)cc5)c(C)c4C)c(C)c3C)cc2)cc1
InChIInChI=1S/C72H68N2/c1-45-13-21-57(22-14-45)61-29-37-65(38-30-61)73(66-39-31-62(32-40-66)58-23-15-46(2)16-24-58)71-53(9)49(5)69(50(6)54(71)10)70-51(7)55(11)72(56(12)52(70)8)74(67-41-33-63(34-42-67)59-25-17-47(3)18-26-59)68-43-35-64(36-44-68)60-27-19-48(4)20-28-60/h13-44H,1-12H3
InChIKeyQOMIRCNLBVDDQA-UHFFFAOYSA-N
MW961.35 g/mol
LogP20.66
Rot. Bonds11

About 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline

2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline (PubChem CID 20758354) has the molecular formula C72H68N2 and a molecular weight of 961.35 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline
PubChem CID20758354
Molecular FormulaC72H68N2
Molecular Weight961.35 g/mol
Exact Mass960.54
IUPAC Name2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3c(C)c(C)c(-c4c(C)c(C)c(N(c5ccc(-c6ccc(C)cc6)cc5)c5ccc(-c6ccc(C)cc6)cc5)c(C)c4C)c(C)c3C)cc2)cc1
InChIInChI=1S/C72H68N2/c1-45-13-21-57(22-14-45)61-29-37-65(38-30-61)73(66-39-31-62(32-40-66)58-23-15-46(2)16-24-58)71-53(9)49(5)69(50(6)54(71)10)70-51(7)55(11)72(56(12)52(70)8)74(67-41-33-63(34-42-67)59-25-17-47(3)18-26-59)68-43-35-64(36-44-68)60-27-19-48(4)20-28-60/h13-44H,1-12H3
InChIKeyQOMIRCNLBVDDQA-UHFFFAOYSA-N
XLogP20.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.35
LogP ≤ 520.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline with MolForge

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Related Compounds

2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-[4-[4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]phenyl]aniline;2,3,4,5,6-pentamethyl-N-(4-methylphenyl)-N-(2,3,4,5,6-pentamethylphenyl)aniline
CID 158948149
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
2,4,6-trimethyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-[4-[4-[4-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]phenyl]aniline
CID 90265211
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
CID 118299311
1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)-1-N,3-N,6-N,8-N-tetrakis(2,3,4,5,6-pentamethylphenyl)pyrene-1,3,6,8-tetramine
CID 59309194
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline?
The IUPAC name of 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline (CID 20758354) is 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline.
What is the SMILES notation for 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline?
The canonical SMILES for 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3c(C)c(C)c(-c4c(C)c(C)c(N(c5ccc(-c6ccc(C)cc6)cc5)c5ccc(-c6ccc(C)cc6)cc5)c(C)c4C)c(C)c3C)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline?
The InChIKey is QOMIRCNLBVDDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68N2/c1-45-13-21-57(22-14-45)61-29-37-65(38-30-61)73(66-39-31-62(32-40-66)58-23-15-46(2)16-24-58)71-53(9)49(5)69(50(6)54(71)10)70-51(7)55(11)72(56(12)52(70)8)74(67-41-33-63(34-42-67)59-25-17-47(3)18-26-59)68-43-35-64(36-44-68)60-27-19-48(4)20-28-60/h13-44H,1-12H3.
What are the key properties of 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline?
2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline has a molecular weight of 961.35 g/mol, XLogP of 20.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N,N-bis[4-(4-methylphenyl)phenyl]-4-[2,3,5,6-tetramethyl-4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]aniline is sourced from PubChem (CID 20758354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).