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

C82H78Br2N2 — CID 54766780

IUPACN-[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
SMILESCCCc1ccc(-c2ccc(N(c3ccc(-c4c(C)cc(Br)cc4C)cc3)c3ccc(-c4cc(C)c(-c5ccc(N(c6ccc(-c7c(C)cc(Br)cc7C)cc6)c6ccc(-c7ccc(CCC)cc7)c(C)c6)cc5C)cc4C)c(C)c3)cc2C)cc1
InChIInChI=1S/C82H78Br2N2/c1-13-15-61-17-21-63(22-18-61)75-37-33-71(45-51(75)3)85(69-29-25-65(26-30-69)81-57(9)41-67(83)42-58(81)10)73-35-39-77(53(5)47-73)79-49-56(8)80(50-55(79)7)78-40-36-74(48-54(78)6)86(70-31-27-66(28-32-70)82-59(11)43-68(84)44-60(82)12)72-34-38-76(52(4)46-72)64-23-19-62(16-14-2)20-24-64/h17-50H,13-16H2,1-12H3
InChIKeyRRUUEAQZZRNAKZ-UHFFFAOYSA-N
MW1251.35 g/mol
LogP25.14
Rot. Bonds16

About 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

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 (PubChem CID 54766780) has the molecular formula C82H78Br2N2 and a molecular weight of 1251.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID54766780
Molecular FormulaC82H78Br2N2
Molecular Weight1251.35 g/mol
Exact Mass1248.45
IUPAC NameN-[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
SMILESCCCc1ccc(-c2ccc(N(c3ccc(-c4c(C)cc(Br)cc4C)cc3)c3ccc(-c4cc(C)c(-c5ccc(N(c6ccc(-c7c(C)cc(Br)cc7C)cc6)c6ccc(-c7ccc(CCC)cc7)c(C)c6)cc5C)cc4C)c(C)c3)cc2C)cc1
InChIInChI=1S/C82H78Br2N2/c1-13-15-61-17-21-63(22-18-61)75-37-33-71(45-51(75)3)85(69-29-25-65(26-30-69)81-57(9)41-67(83)42-58(81)10)73-35-39-77(53(5)47-73)79-49-56(8)80(50-55(79)7)78-40-36-74(48-54(78)6)86(70-31-27-66(28-32-70)82-59(11)43-68(84)44-60(82)12)72-34-38-76(52(4)46-72)64-23-19-62(16-14-2)20-24-64/h17-50H,13-16H2,1-12H3
InChIKeyRRUUEAQZZRNAKZ-UHFFFAOYSA-N
XLogP25.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.35
LogP ≤ 525.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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-[N-(3,4-dimethylphenyl)-4-(2-methoxyethyl)anilino]phenyl]phenyl]-3,4-dimethyl-N-(4-propylphenyl)aniline
CID 59649188
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
CID 89104346
N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 118033679
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
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
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
N-[4-(4-bromophenyl)phenyl]-4-[5-[4-[(Z)-3-[4-(4-bromophenyl)phenyl]-2-[4-(4-propylphenyl)phenyl]prop-1-enyl]-2-methylphenyl]-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5'-yl]-3-methyl-N-[4-(4-propylphenyl)phenyl]aniline
CID 145001222

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1ccc(-c2ccc(N(c3ccc(-c4c(C)cc(Br)cc4C)cc3)c3ccc(-c4cc(C)c(-c5ccc(N(c6ccc(-c7c(C)cc(Br)cc7C)cc6)c6ccc(-c7ccc(CCC)cc7)c(C)c6)cc5C)cc4C)c(C)c3)cc2C)cc1.
What is the InChIKey of 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?
The InChIKey is RRUUEAQZZRNAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H78Br2N2/c1-13-15-61-17-21-63(22-18-61)75-37-33-71(45-51(75)3)85(69-29-25-65(26-30-69)81-57(9)41-67(83)42-58(81)10)73-35-39-77(53(5)47-73)79-49-56(8)80(50-55(79)7)78-40-36-74(48-54(78)6)86(70-31-27-66(28-32-70)82-59(11)43-68(84)44-60(82)12)72-34-38-76(52(4)46-72)64-23-19-62(16-14-2)20-24-64/h17-50H,13-16H2,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1251.35 g/mol, XLogP of 25.14, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54766780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).