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

C84H82Br2N2 — CID 177268687

IUPACN-[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
SMILESCCCCCCc1cc(N(c2ccc(-c3ccc(Br)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)cc1
InChIInChI=1S/C84H82Br2N2/c1-9-11-13-15-17-72-56-82(88(79-45-31-68(32-46-79)65-25-39-75(86)40-26-65)80-49-35-71(36-50-80)84-61(7)53-58(4)54-62(84)8)73(18-16-14-12-10-2)55-81(72)69-21-19-63(20-22-69)66-27-41-76(42-28-66)87(77-43-29-67(30-44-77)64-23-37-74(85)38-24-64)78-47-33-70(34-48-78)83-59(5)51-57(3)52-60(83)6/h19-56H,9-18H2,1-8H3
InChIKeyVAKUQDAZICFTFQ-UHFFFAOYSA-N
MW1279.40 g/mol
LogP26.25
Rot. Bonds22

About 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

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 (PubChem CID 177268687) has the molecular formula C84H82Br2N2 and a molecular weight of 1279.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID177268687
Molecular FormulaC84H82Br2N2
Molecular Weight1279.40 g/mol
Exact Mass1276.48
IUPAC NameN-[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
SMILESCCCCCCc1cc(N(c2ccc(-c3ccc(Br)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)cc1
InChIInChI=1S/C84H82Br2N2/c1-9-11-13-15-17-72-56-82(88(79-45-31-68(32-46-79)65-25-39-75(86)40-26-65)80-49-35-71(36-50-80)84-61(7)53-58(4)54-62(84)8)73(18-16-14-12-10-2)55-81(72)69-21-19-63(20-22-69)66-27-41-76(42-28-66)87(77-43-29-67(30-44-77)64-23-37-74(85)38-24-64)78-47-33-70(34-48-78)83-59(5)51-57(3)52-60(83)6/h19-56H,9-18H2,1-8H3
InChIKeyVAKUQDAZICFTFQ-UHFFFAOYSA-N
XLogP26.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.40
LogP ≤ 526.25
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-[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 with MolForge

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Related Compounds

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-(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
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-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
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
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
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-bromophenyl)-4-cyclohexa-1,5-dien-1-yl-N-[4-[2-ethyl-4-[4-[3-ethyl-4-(4-methylphenyl)phenyl]-2,5-dihexylphenyl]phenyl]phenyl]aniline
CID 143809636
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
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
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1cc(N(c2ccc(-c3ccc(Br)cc3)cc2)c2ccc(-c3c(C)cc(C)cc3C)cc2)c(CCCCCC)cc1-c1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4c(C)cc(C)cc4C)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is VAKUQDAZICFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H82Br2N2/c1-9-11-13-15-17-72-56-82(88(79-45-31-68(32-46-79)65-25-39-75(86)40-26-65)80-49-35-71(36-50-80)84-61(7)53-58(4)54-62(84)8)73(18-16-14-12-10-2)55-81(72)69-21-19-63(20-22-69)66-27-41-76(42-28-66)87(77-43-29-67(30-44-77)64-23-37-74(85)38-24-64)78-47-33-70(34-48-78)83-59(5)51-57(3)52-60(83)6/h19-56H,9-18H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1279.40 g/mol, XLogP of 26.25, 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-[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 is sourced from PubChem (CID 177268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).