4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline

C98H106N4 — CID 90265201

IUPAC4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
SMILESCCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8c(C)cc(CCCC)cc8C)cc7)cc6)c6c(C)cc(CCCC)cc6C)cc5)cc4)c4c(C)cc(CCCC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C98H106N4/c1-15-19-23-77-59-69(7)95(70(8)60-77)99(87-43-27-67(5)28-44-87)89-47-31-81(32-48-89)83-35-51-91(52-36-83)101(97-73(11)63-79(25-21-17-3)64-74(97)12)93-55-39-85(40-56-93)86-41-57-94(58-42-86)102(98-75(13)65-80(26-22-18-4)66-76(98)14)92-53-37-84(38-54-92)82-33-49-90(50-34-82)100(88-45-29-68(6)30-46-88)96-71(9)61-78(24-20-16-2)62-72(96)10/h27-66H,15-26H2,1-14H3
InChIKeySASQOWHCRCRLAN-UHFFFAOYSA-N
MW1339.95 g/mol
LogP29.02
Rot. Bonds27

About 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline

4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline (PubChem CID 90265201) has the molecular formula C98H106N4 and a molecular weight of 1339.95 g/mol. Its IUPAC name is 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
PubChem CID90265201
Molecular FormulaC98H106N4
Molecular Weight1339.95 g/mol
Exact Mass1338.84
IUPAC Name4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
SMILESCCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8c(C)cc(CCCC)cc8C)cc7)cc6)c6c(C)cc(CCCC)cc6C)cc5)cc4)c4c(C)cc(CCCC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C98H106N4/c1-15-19-23-77-59-69(7)95(70(8)60-77)99(87-43-27-67(5)28-44-87)89-47-31-81(32-48-89)83-35-51-91(52-36-83)101(97-73(11)63-79(25-21-17-3)64-74(97)12)93-55-39-85(40-56-93)86-41-57-94(58-42-86)102(98-75(13)65-80(26-22-18-4)66-76(98)14)92-53-37-84(38-54-92)82-33-49-90(50-34-82)100(88-45-29-68(6)30-46-88)96-71(9)61-78(24-20-16-2)62-72(96)10/h27-66H,15-26H2,1-14H3
InChIKeySASQOWHCRCRLAN-UHFFFAOYSA-N
XLogP29.02
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.95
LogP ≤ 529.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

CID 89038222
CID 89038222
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
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
N,2,6-trimethyl-N-(4-methylphenyl)-4-pentylaniline
CID 138600835
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678
2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-2-N,7-N-bis(3,5-dimethylphenyl)-9,10-dimethylphenanthrene-2,7-diamine
CID 118520725
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
N,N-bis[3-(4-hexylphenyl)-4-methyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethylaniline
CID 144813748
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
4-N-(2-butyl-4-tert-butyl-6-methylphenyl)-1-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 166998387
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?
The IUPAC name of 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline (CID 90265201) is 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline is CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8c(C)cc(CCCC)cc8C)cc7)cc6)c6c(C)cc(CCCC)cc6C)cc5)cc4)c4c(C)cc(CCCC)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?
The InChIKey is SASQOWHCRCRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H106N4/c1-15-19-23-77-59-69(7)95(70(8)60-77)99(87-43-27-67(5)28-44-87)89-47-31-81(32-48-89)83-35-51-91(52-36-83)101(97-73(11)63-79(25-21-17-3)64-74(97)12)93-55-39-85(40-56-93)86-41-57-94(58-42-86)102(98-75(13)65-80(26-22-18-4)66-76(98)14)92-53-37-84(38-54-92)82-33-49-90(50-34-82)100(88-45-29-68(6)30-46-88)96-71(9)61-78(24-20-16-2)62-72(96)10/h27-66H,15-26H2,1-14H3.
What are the key properties of 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline?
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline has a molecular weight of 1339.95 g/mol, XLogP of 29.02, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 90265201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).