N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline

C150H154Br2N4 — CID 90729453

IUPACN-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline
SMILESCCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(Br)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(Br)c2)c1.CCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(C)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C76H80N2.C74H74Br2N2/c1-7-9-11-13-15-17-25-59-27-21-31-71(51-59)77(69-29-19-23-55(3)49-69)67-43-37-61(38-44-67)63-41-47-73-65(53-63)35-33-57(5)75(73)76-58(6)34-36-66-54-64(42-48-74(66)76)62-39-45-68(46-40-62)78(70-30-20-24-56(4)50-70)72-32-22-28-60(52-72)26-18-16-14-12-10-8-2;1-5-7-9-11-13-15-21-55-23-17-27-67(47-55)77(69-29-19-25-63(75)51-69)65-41-35-57(36-42-65)59-39-45-71-61(49-59)33-31-53(3)73(71)74-54(4)32-34-62-50-60(40-46-72(62)74)58-37-43-66(44-38-58)78(70-30-20-26-64(76)52-70)68-28-18-24-56(48-68)22-16-14-12-10-8-6-2/h19-24,27-54H,7-18,25-26H2,1-6H3;17-20,23-52H,5-16,21-22H2,1-4H3
InChIKeyDDNTVOVWRRKENQ-UHFFFAOYSA-N
MW2172.72 g/mol
LogP46.85
Rot. Bonds46

About N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline

N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline (PubChem CID 90729453) has the molecular formula C150H154Br2N4 and a molecular weight of 2172.72 g/mol. Its IUPAC name is N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline
PubChem CID90729453
Molecular FormulaC150H154Br2N4
Molecular Weight2172.72 g/mol
Exact Mass2169.05
IUPAC NameN-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline
SMILESCCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(Br)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(Br)c2)c1.CCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(C)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C76H80N2.C74H74Br2N2/c1-7-9-11-13-15-17-25-59-27-21-31-71(51-59)77(69-29-19-23-55(3)49-69)67-43-37-61(38-44-67)63-41-47-73-65(53-63)35-33-57(5)75(73)76-58(6)34-36-66-54-64(42-48-74(66)76)62-39-45-68(46-40-62)78(70-30-20-24-56(4)50-70)72-32-22-28-60(52-72)26-18-16-14-12-10-8-2;1-5-7-9-11-13-15-21-55-23-17-27-67(47-55)77(69-29-19-25-63(75)51-69)65-41-35-57(36-42-65)59-39-45-71-61(49-59)33-31-53(3)73(71)74-54(4)32-34-62-50-60(40-46-72(62)74)58-37-43-66(44-38-58)78(70-30-20-26-64(76)52-70)68-28-18-24-56(48-68)22-16-14-12-10-8-6-2/h19-24,27-54H,7-18,25-26H2,1-6H3;17-20,23-52H,5-16,21-22H2,1-4H3
InChIKeyDDNTVOVWRRKENQ-UHFFFAOYSA-N
XLogP46.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds46
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002172.72
LogP ≤ 546.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline with MolForge

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Related Compounds

N-[3-[8-[7-[3-[4-(4-bromophenyl)-N-(3-octylphenyl)anilino]phenyl]-2-methylnaphthalen-1-yl]-7-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-heptylaniline
CID 89064522
N-[4-[3-[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]-5-[4-(N-(3-butylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]-N-(3-butylphenyl)-3-methylaniline
CID 20688277
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
CID 18346375
N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octylphenyl)aniline
CID 59449658
4-N,4-N-bis[4-(4-butylphenyl)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;4-N,4-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;2-N,6-N-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-ylnaphthalene-2,6-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylphenanthrene-2,7-diamine;4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-methyl-N-(4-methylphenyl)-N-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]aniline
CID 162053979
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
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
1-N-[4-(N-(3-ethylphenyl)-3-methylanilino)phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 154529575
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
CID 130356199

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline?
The IUPAC name of N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline (CID 90729453) is N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline.
What is the SMILES notation for N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline?
The canonical SMILES for N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline is CCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(Br)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(Br)c2)c1.CCCCCCCCc1cccc(N(c2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(N(c8cccc(C)c8)c8cccc(CCCCCCCC)c8)cc7)ccc56)c(C)ccc4c3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline?
The InChIKey is DDNTVOVWRRKENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H80N2.C74H74Br2N2/c1-7-9-11-13-15-17-25-59-27-21-31-71(51-59)77(69-29-19-23-55(3)49-69)67-43-37-61(38-44-67)63-41-47-73-65(53-63)35-33-57(5)75(73)76-58(6)34-36-66-54-64(42-48-74(66)76)62-39-45-68(46-40-62)78(70-30-20-24-56(4)50-70)72-32-22-28-60(52-72)26-18-16-14-12-10-8-2;1-5-7-9-11-13-15-21-55-23-17-27-67(47-55)77(69-29-19-25-63(75)51-69)65-41-35-57(36-42-65)59-39-45-71-61(49-59)33-31-53(3)73(71)74-54(4)32-34-62-50-60(40-46-72(62)74)58-37-43-66(44-38-58)78(70-30-20-26-64(76)52-70)68-28-18-24-56(48-68)22-16-14-12-10-8-6-2/h19-24,27-54H,7-18,25-26H2,1-6H3;17-20,23-52H,5-16,21-22H2,1-4H3.
What are the key properties of N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline?
N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline has a molecular weight of 2172.72 g/mol, XLogP of 46.85, 46 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[6-[4-(3-bromo-N-(3-octylphenyl)anilino)phenyl]-2-methylnaphthalen-1-yl]-6-methylnaphthalen-2-yl]phenyl]-N-(3-bromophenyl)-3-octylaniline;3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methyl-N-(3-octylphenyl)anilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-N-(3-octylphenyl)aniline is sourced from PubChem (CID 90729453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).