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

C102H98Br2N2 — CID 59449658

IUPACN-[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
SMILESCCCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4cc5ccccc5c(-c5c(C)c(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(CCCCCCCC)cc8)c(CC)c7)cc6)cc6ccccc56)c4C)cc3)cc2CC)cc1
InChIInChI=1S/C102H98Br2N2/c1-7-11-13-15-17-19-25-73-31-35-81(36-32-73)95-65-63-93(67-75(95)9-3)105(89-55-43-79(44-56-89)77-39-51-87(103)52-40-77)91-59-47-83(48-60-91)99-69-85-27-21-23-29-97(85)101(71(99)5)102-72(6)100(70-86-28-22-24-30-98(86)102)84-49-61-92(62-50-84)106(90-57-45-80(46-58-90)78-41-53-88(104)54-42-78)94-64-66-96(76(10-4)68-94)82-37-33-74(34-38-82)26-20-18-16-14-12-8-2/h21-24,27-70H,7-20,25-26H2,1-6H3
InChIKeyDZSZPCHJMOYJNN-UHFFFAOYSA-N
MW1511.73 g/mol
LogP31.67
Rot. Bonds29

About 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

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 (PubChem CID 59449658) has the molecular formula C102H98Br2N2 and a molecular weight of 1511.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59449658
Molecular FormulaC102H98Br2N2
Molecular Weight1511.73 g/mol
Exact Mass1508.61
IUPAC NameN-[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
SMILESCCCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4cc5ccccc5c(-c5c(C)c(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(CCCCCCCC)cc8)c(CC)c7)cc6)cc6ccccc56)c4C)cc3)cc2CC)cc1
InChIInChI=1S/C102H98Br2N2/c1-7-11-13-15-17-19-25-73-31-35-81(36-32-73)95-65-63-93(67-75(95)9-3)105(89-55-43-79(44-56-89)77-39-51-87(103)52-40-77)91-59-47-83(48-60-91)99-69-85-27-21-23-29-97(85)101(71(99)5)102-72(6)100(70-86-28-22-24-30-98(86)102)84-49-61-92(62-50-84)106(90-57-45-80(46-58-90)78-41-53-88(104)54-42-78)94-64-66-96(76(10-4)68-94)82-37-33-74(34-38-82)26-20-18-16-14-12-8-2/h21-24,27-70H,7-20,25-26H2,1-6H3
InChIKeyDZSZPCHJMOYJNN-UHFFFAOYSA-N
XLogP31.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001511.73
LogP ≤ 531.67
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-[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 with MolForge

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Related Compounds

(9-Bromophenanthren-3-yl)-trimethylazanium iodide
CID 45488197
N4,N4'-bis(4-bromophenyl)-N4,N4'-diphenyl-[1,1'-biphenyl]-4,4'-diamine
CID 16217991
9,10-Bis(N,N-di-(p-tolyl)-amino)anthracene
CID 22976653
N,N-di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine
CID 58672377
(9-Bromophenanthren-3-yl)-trimethylazanium
CID 45488198
N~4~,N~4'~-Di(naphthalen-2-yl)-N~4~,N~4'~-diphenyl(1,1'-biphenyl)-4,4'-diamine
CID 21881245
N-[4-(4-bromophenyl)phenyl]-N-(3-fluorophenyl)-3-methylaniline
CID 21960746
N~4~,N~4'~-Di(naphthalen-1-yl)-N~4~,N~4'~-diphenyl(1,1'-biphenyl)-4,4'-diamine
CID 5069127
N,N-di(naphthalene-1-yl)-N,N-diphenylbenzidine
CID 10218642
N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline
CID 10835582
4-Bromo-4'-(diphenylamino)biphenyl
CID 11315550
N4,N4,N4',N4'-Tetra(naphthalen-1-yl)-[1,1'-biphenyl]-4,4'-diamine
CID 11534891

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4cc5ccccc5c(-c5c(C)c(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(CCCCCCCC)cc8)c(CC)c7)cc6)cc6ccccc56)c4C)cc3)cc2CC)cc1.
What is the InChIKey of 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?
The InChIKey is DZSZPCHJMOYJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H98Br2N2/c1-7-11-13-15-17-19-25-73-31-35-81(36-32-73)95-65-63-93(67-75(95)9-3)105(89-55-43-79(44-56-89)77-39-51-87(103)52-40-77)91-59-47-83(48-60-91)99-69-85-27-21-23-29-97(85)101(71(99)5)102-72(6)100(70-86-28-22-24-30-98(86)102)84-49-61-92(62-50-84)106(90-57-45-80(46-58-90)78-41-53-88(104)54-42-78)94-64-66-96(76(10-4)68-94)82-37-33-74(34-38-82)26-20-18-16-14-12-8-2/h21-24,27-70H,7-20,25-26H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1511.73 g/mol, XLogP of 31.67, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59449658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).