N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline

C72H68Br2N2Si — CID 164836340

IUPACN-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
SMILESCCCCCCc1ccc(-c2ccc(N(c3ccc(Br)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccc(Br)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H68Br2N2Si/c1-3-5-7-11-17-55-23-27-57(28-24-55)59-31-39-63(40-32-59)75(65-43-35-61(73)36-44-65)67-47-51-71(52-48-67)77(69-19-13-9-14-20-69,70-21-15-10-16-22-70)72-53-49-68(50-54-72)76(66-45-37-62(74)38-46-66)64-41-33-60(34-42-64)58-29-25-56(26-30-58)18-12-8-6-4-2/h9-10,13-16,19-54H,3-8,11-12,17-18H2,1-2H3
InChIKeyPPVOHSOEAPCGQH-UHFFFAOYSA-N
MW1149.24 g/mol
LogP19.11
Rot. Bonds22

About N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline

N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline (PubChem CID 164836340) has the molecular formula C72H68Br2N2Si and a molecular weight of 1149.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
PubChem CID164836340
Molecular FormulaC72H68Br2N2Si
Molecular Weight1149.24 g/mol
Exact Mass1146.35
IUPAC NameN-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
SMILESCCCCCCc1ccc(-c2ccc(N(c3ccc(Br)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccc(Br)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C72H68Br2N2Si/c1-3-5-7-11-17-55-23-27-57(28-24-55)59-31-39-63(40-32-59)75(65-43-35-61(73)36-44-65)67-47-51-71(52-48-67)77(69-19-13-9-14-20-69,70-21-15-10-16-22-70)72-53-49-68(50-54-72)76(66-45-37-62(74)38-46-66)64-41-33-60(34-42-64)58-29-25-56(26-30-58)18-12-8-6-4-2/h9-10,13-16,19-54H,3-8,11-12,17-18H2,1-2H3
InChIKeyPPVOHSOEAPCGQH-UHFFFAOYSA-N
XLogP19.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.24
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
CID 58210318
1-pentadecyl-4-phenylbenzene
CID 57166115
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine
CID 59147599
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline?
The IUPAC name of N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline (CID 164836340) is N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline?
The canonical SMILES for N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline is CCCCCCc1ccc(-c2ccc(N(c3ccc(Br)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(N(c5ccc(Br)cc5)c5ccc(-c6ccc(CCCCCC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline?
The InChIKey is PPVOHSOEAPCGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H68Br2N2Si/c1-3-5-7-11-17-55-23-27-57(28-24-55)59-31-39-63(40-32-59)75(65-43-35-61(73)36-44-65)67-47-51-71(52-48-67)77(69-19-13-9-14-20-69,70-21-15-10-16-22-70)72-53-49-68(50-54-72)76(66-45-37-62(74)38-46-66)64-41-33-60(34-42-64)58-29-25-56(26-30-58)18-12-8-6-4-2/h9-10,13-16,19-54H,3-8,11-12,17-18H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline?
N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline has a molecular weight of 1149.24 g/mol, XLogP of 19.11, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline is sourced from PubChem (CID 164836340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).