1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene

C102H133Br — CID 169036195

IUPAC1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
SMILESCCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1Br
InChIInChI=1S/C102H133Br/c1-9-17-25-34-46-87-71-96(88(47-35-26-18-10-2)70-95(87)80-56-54-79(55-57-80)78-44-42-33-43-45-78)81-58-60-82(61-59-81)97-72-90(49-37-28-20-12-4)98(73-89(97)48-36-27-19-11-3)83-62-64-84(65-63-83)99-74-92(51-39-30-22-14-6)100(75-91(99)50-38-29-21-13-5)85-66-68-86(69-67-85)101-76-94(53-41-32-24-16-8)102(103)77-93(101)52-40-31-23-15-7/h33,42-45,54-77H,9-32,34-41,46-53H2,1-8H3
InChIKeyIMPUFIGXHGQPQS-UHFFFAOYSA-N
MW1439.09 g/mol
LogP32.77
Rot. Bonds48

About 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene

1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene (PubChem CID 169036195) has the molecular formula C102H133Br and a molecular weight of 1439.09 g/mol. Its IUPAC name is 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene.

Molecular Properties

Compound Name1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
PubChem CID169036195
Molecular FormulaC102H133Br
Molecular Weight1439.09 g/mol
Exact Mass1436.96
IUPAC Name1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
SMILESCCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1Br
InChIInChI=1S/C102H133Br/c1-9-17-25-34-46-87-71-96(88(47-35-26-18-10-2)70-95(87)80-56-54-79(55-57-80)78-44-42-33-43-45-78)81-58-60-82(61-59-81)97-72-90(49-37-28-20-12-4)98(73-89(97)48-36-27-19-11-3)83-62-64-84(65-63-83)99-74-92(51-39-30-22-14-6)100(75-91(99)50-38-29-21-13-5)85-66-68-86(69-67-85)101-76-94(53-41-32-24-16-8)102(103)77-93(101)52-40-31-23-15-7/h33,42-45,54-77H,9-32,34-41,46-53H2,1-8H3
InChIKeyIMPUFIGXHGQPQS-UHFFFAOYSA-N
XLogP32.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001439.09
LogP ≤ 532.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene with MolForge

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Related Compounds

1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
2-[4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169036257
3,4-difluoro-1-octyl-5-(4-phenylphenyl)-2-propylbenzene
CID 19107988
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
1-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-5-(4-methylphenyl)naphthalene
CID 123328178
1-bromo-4-[4-(4-butylphenyl)phenyl]-5-dodecan-2-yl-2-dodecylbenzene
CID 118901957
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
6,20-bis[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]phenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 100935063
1,1'-biphenyl;hexadecane
CID 173308514
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-pentadecyl-4-phenylbenzene
CID 57166115

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene?
The IUPAC name of 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene (CID 169036195) is 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene.
What is the SMILES notation for 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene?
The canonical SMILES for 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene is CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5cc(CCCCCC)c(-c6ccc(-c7cc(CCCCCC)c(-c8ccc(-c9ccccc9)cc8)cc7CCCCCC)cc6)cc5CCCCCC)cc4)cc3CCCCCC)cc2)c(CCCCCC)cc1Br.
What is the InChIKey of 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene?
The InChIKey is IMPUFIGXHGQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H133Br/c1-9-17-25-34-46-87-71-96(88(47-35-26-18-10-2)70-95(87)80-56-54-79(55-57-80)78-44-42-33-43-45-78)81-58-60-82(61-59-81)97-72-90(49-37-28-20-12-4)98(73-89(97)48-36-27-19-11-3)83-62-64-84(65-63-83)99-74-92(51-39-30-22-14-6)100(75-91(99)50-38-29-21-13-5)85-66-68-86(69-67-85)101-76-94(53-41-32-24-16-8)102(103)77-93(101)52-40-31-23-15-7/h33,42-45,54-77H,9-32,34-41,46-53H2,1-8H3.
What are the key properties of 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene?
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene has a molecular weight of 1439.09 g/mol, XLogP of 32.77, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene is sourced from PubChem (CID 169036195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).