1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene

C60H40Br2 — CID 175787735

IUPAC1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
SMILESBrc1cc(-c2ccc(-c3ccccc3)cc2)c(-c2cc(-c3ccc(-c4ccccc4)cc3)c(Br)cc2-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H40Br2/c61-59-39-53(49-29-21-45(22-30-49)41-13-5-1-6-14-41)57(37-55(59)51-33-25-47(26-34-51)43-17-9-3-10-18-43)58-38-56(52-35-27-48(28-36-52)44-19-11-4-12-20-44)60(62)40-54(58)50-31-23-46(24-32-50)42-15-7-2-8-16-42/h1-40H
InChIKeyAYDHRMGPMXBLHN-UHFFFAOYSA-N
MW920.79 g/mol
LogP18.21
Rot. Bonds9

About 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene

1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene (PubChem CID 175787735) has the molecular formula C60H40Br2 and a molecular weight of 920.79 g/mol. Its IUPAC name is 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
PubChem CID175787735
Molecular FormulaC60H40Br2
Molecular Weight920.79 g/mol
Exact Mass918.15
IUPAC Name1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
SMILESBrc1cc(-c2ccc(-c3ccccc3)cc2)c(-c2cc(-c3ccc(-c4ccccc4)cc3)c(Br)cc2-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C60H40Br2/c61-59-39-53(49-29-21-45(22-30-49)41-13-5-1-6-14-41)57(37-55(59)51-33-25-47(26-34-51)43-17-9-3-10-18-43)58-38-56(52-35-27-48(28-36-52)44-19-11-4-12-20-44)60(62)40-54(58)50-31-23-46(24-32-50)42-15-7-2-8-16-42/h1-40H
InChIKeyAYDHRMGPMXBLHN-UHFFFAOYSA-N
XLogP18.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.79
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 89317260
CID 89317260
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
CID 175687151
1-(2-bromophenyl)-3-deuterio-2,4,5-triphenylbenzene
CID 175805471
1-bromo-4-(4-methylphenyl)-2-phenylbenzene
CID 70958469
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
CID 155342029

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene?
The IUPAC name of 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene (CID 175787735) is 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene?
The canonical SMILES for 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene is Brc1cc(-c2ccc(-c3ccccc3)cc2)c(-c2cc(-c3ccc(-c4ccccc4)cc3)c(Br)cc2-c2ccc(-c3ccccc3)cc2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene?
The InChIKey is AYDHRMGPMXBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40Br2/c61-59-39-53(49-29-21-45(22-30-49)41-13-5-1-6-14-41)57(37-55(59)51-33-25-47(26-34-51)43-17-9-3-10-18-43)58-38-56(52-35-27-48(28-36-52)44-19-11-4-12-20-44)60(62)40-54(58)50-31-23-46(24-32-50)42-15-7-2-8-16-42/h1-40H.
What are the key properties of 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene?
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene has a molecular weight of 920.79 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene is sourced from PubChem (CID 175787735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).