3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline

C110H106N4 — CID 177093097

IUPAC3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESCCCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2C)c(CCCCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1C
InChIInChI=1S/C110H106N4/c1-7-9-11-13-15-21-31-93-79-110(108-76-74-106(78-84(108)6)114(102-67-55-88(56-68-102)86-47-43-82(4)44-48-86)104-71-59-92(60-72-104)90-51-63-100(64-52-90)112(97-37-27-19-28-38-97)98-39-29-20-30-40-98)94(32-22-16-14-12-10-8-2)80-109(93)107-75-73-105(77-83(107)5)113(101-65-53-87(54-66-101)85-45-41-81(3)42-46-85)103-69-57-91(58-70-103)89-49-61-99(62-50-89)111(95-33-23-17-24-34-95)96-35-25-18-26-36-96/h17-20,23-30,33-80H,7-16,21-22,31-32H2,1-6H3
InChIKeyQDAUDORAMKATSY-UHFFFAOYSA-N
MW1484.09 g/mol
LogP32.61
Rot. Bonds32

About 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline

3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (PubChem CID 177093097) has the molecular formula C110H106N4 and a molecular weight of 1484.09 g/mol. Its IUPAC name is 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
PubChem CID177093097
Molecular FormulaC110H106N4
Molecular Weight1484.09 g/mol
Exact Mass1482.84
IUPAC Name3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
SMILESCCCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2C)c(CCCCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1C
InChIInChI=1S/C110H106N4/c1-7-9-11-13-15-21-31-93-79-110(108-76-74-106(78-84(108)6)114(102-67-55-88(56-68-102)86-47-43-82(4)44-48-86)104-71-59-92(60-72-104)90-51-63-100(64-52-90)112(97-37-27-19-28-38-97)98-39-29-20-30-40-98)94(32-22-16-14-12-10-8-2)80-109(93)107-75-73-105(77-83(107)5)113(101-65-53-87(54-66-101)85-45-41-81(3)42-46-85)103-69-57-91(58-70-103)89-49-61-99(62-50-89)111(95-33-23-17-24-34-95)96-35-25-18-26-36-96/h17-20,23-30,33-80H,7-16,21-22,31-32H2,1-6H3
InChIKeyQDAUDORAMKATSY-UHFFFAOYSA-N
XLogP32.61
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.09
LogP ≤ 532.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline with MolForge

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Related Compounds

1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163
N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 171457404
N-[4-(4-bromophenyl)phenyl]-4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]anilino]phenyl]phenyl]-3-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 175621549
4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 157408335
2,5-dihexyl-4-[3-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]-N-(3-methyl-4-phenylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 167382558
N-[4-[7-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-methylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-3-methylanilino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155761610
1,4-dihexyl-2,5-bis[2-methyl-4-[[4-(3-methylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]benzene
CID 161236469
4-[2,5-dihexyl-4-[2-methyl-4-[N-[4-[4-(3-oxo-1,4-dihydro-2,3λ4-benzoxathiin-6-yl)phenyl]phenyl]-4-(4-propylphenyl)anilino]phenyl]phenyl]-3-methyl-N-[4-[4-(3-oxo-1,4-dihydro-2,3λ4-benzoxathiin-6-yl)phenyl]phenyl]-N-[4-(4-propylphenyl)phenyl]aniline
CID 122630668
4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158040806
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The IUPAC name of 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline (CID 177093097) is 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is CCCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2C)c(CCCCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1C.
What is the InChIKey of 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
The InChIKey is QDAUDORAMKATSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H106N4/c1-7-9-11-13-15-21-31-93-79-110(108-76-74-106(78-84(108)6)114(102-67-55-88(56-68-102)86-47-43-82(4)44-48-86)104-71-59-92(60-72-104)90-51-63-100(64-52-90)112(97-37-27-19-28-38-97)98-39-29-20-30-40-98)94(32-22-16-14-12-10-8-2)80-109(93)107-75-73-105(77-83(107)5)113(101-65-53-87(54-66-101)85-45-41-81(3)42-46-85)103-69-57-91(58-70-103)89-49-61-99(62-50-89)111(95-33-23-17-24-34-95)96-35-25-18-26-36-96/h17-20,23-30,33-80H,7-16,21-22,31-32H2,1-6H3.
What are the key properties of 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline?
3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline has a molecular weight of 1484.09 g/mol, XLogP of 32.61, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 177093097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).