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

C87H89BrN2 — CID 175621549

IUPACN-[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
SMILESCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)cc1C
InChIInChI=1S/C87H89BrN2/c1-12-14-16-18-20-73-57-85(83-49-47-81(55-62(83)7)90(77-40-30-70(31-41-77)68-26-36-75(88)37-27-68)79-44-34-72(35-45-79)87-65(10)52-60(5)53-66(87)11)74(21-19-17-15-13-2)56-84(73)82-48-46-80(54-61(82)6)89(76-38-28-69(29-39-76)67-24-22-58(3)23-25-67)78-42-32-71(33-43-78)86-63(8)50-59(4)51-64(86)9/h22-57H,12-21H2,1-11H3
InChIKeyXOXABWPCCPIWEF-UHFFFAOYSA-N
MW1242.59 g/mol
LogP26.41
Rot. Bonds22

About 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

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 (PubChem CID 175621549) has the molecular formula C87H89BrN2 and a molecular weight of 1242.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID175621549
Molecular FormulaC87H89BrN2
Molecular Weight1242.59 g/mol
Exact Mass1240.62
IUPAC NameN-[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
SMILESCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)cc1C
InChIInChI=1S/C87H89BrN2/c1-12-14-16-18-20-73-57-85(83-49-47-81(55-62(83)7)90(77-40-30-70(31-41-77)68-26-36-75(88)37-27-68)79-44-34-72(35-45-79)87-65(10)52-60(5)53-66(87)11)74(21-19-17-15-13-2)56-84(73)82-48-46-80(54-61(82)6)89(76-38-28-69(29-39-76)67-24-22-58(3)23-25-67)78-42-32-71(33-43-78)86-63(8)50-59(4)51-64(86)9/h22-57H,12-21H2,1-11H3
InChIKeyXOXABWPCCPIWEF-UHFFFAOYSA-N
XLogP26.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001242.59
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[4-(4-bromophenyl)phenyl]-4-[4-[4-[4-(4-bromophenyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]anilino]phenyl]phenyl]-2,5-dihexyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 177268687
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
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
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
4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methyl-N-[4-(4-propylphenyl)phenyl]-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 123525552
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
4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline
CID 169304138
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-bromophenyl)-N-[4-[4-[4-[4-(N-(4-bromophenyl)-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 87103295
N-[4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methylphenyl]-N-[4-(4-bromo-2,6-dimethylphenyl)phenyl]-3-methyl-4-(4-propylphenyl)aniline
CID 54766780
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
1,4-bis[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexylbenzene;1-[4-(2,4-dimethylphenyl)phenyl]-2,5-dihexyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,4-dimethylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene;1-[4-(2-ethyl-4-methylphenyl)phenyl]-4-[4-(4-methylphenyl)phenyl]-2,5-dipentylbenzene
CID 159383327

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)cc1C.
What is the InChIKey of 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?
The InChIKey is XOXABWPCCPIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H89BrN2/c1-12-14-16-18-20-73-57-85(83-49-47-81(55-62(83)7)90(77-40-30-70(31-41-77)68-26-36-75(88)37-27-68)79-44-34-72(35-45-79)87-65(10)52-60(5)53-66(87)11)74(21-19-17-15-13-2)56-84(73)82-48-46-80(54-61(82)6)89(76-38-28-69(29-39-76)67-24-22-58(3)23-25-67)78-42-32-71(33-43-78)86-63(8)50-59(4)51-64(86)9/h22-57H,12-21H2,1-11H3.
What are the key properties of 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?
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 has a molecular weight of 1242.59 g/mol, XLogP of 26.41, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175621549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).