1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene

C60H40Br2 — CID 102428633

IUPAC1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccc(Br)cc6)cc(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C60H40Br2/c61-59-31-27-51(28-32-59)57-37-53(47-19-11-43(12-20-47)41-7-3-1-4-8-41)35-55(39-57)49-23-15-45(16-24-49)46-17-25-50(26-18-46)56-36-54(38-58(40-56)52-29-33-60(62)34-30-52)48-21-13-44(14-22-48)42-9-5-2-6-10-42/h1-40H
InChIKeyKVCIWVKHAJCNTK-UHFFFAOYSA-N
MW920.79 g/mol
LogP18.21
Rot. Bonds9

About 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene

1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene (PubChem CID 102428633) has the molecular formula C60H40Br2 and a molecular weight of 920.79 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
PubChem CID102428633
Molecular FormulaC60H40Br2
Molecular Weight920.79 g/mol
Exact Mass918.15
IUPAC Name1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
SMILESBrc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccc(Br)cc6)cc(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C60H40Br2/c61-59-31-27-51(28-32-59)57-37-53(47-19-11-43(12-20-47)41-7-3-1-4-8-41)35-55(39-57)49-23-15-45(16-24-49)46-17-25-50(26-18-46)56-36-54(38-58(40-56)52-29-33-60(62)34-30-52)48-21-13-44(14-22-48)42-9-5-2-6-10-42/h1-40H
InChIKeyKVCIWVKHAJCNTK-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

4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
1,3,5-triphenylbenzene
CID 158331433
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
1,3-dibromo-5-phenylbenzene
CID 3014933
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
CID 162245084
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene?
The IUPAC name of 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene (CID 102428633) is 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene is Brc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccc(-c4ccc(-c5cc(-c6ccc(Br)cc6)cc(-c6ccc(-c7ccccc7)cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene?
The InChIKey is KVCIWVKHAJCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40Br2/c61-59-31-27-51(28-32-59)57-37-53(47-19-11-43(12-20-47)41-7-3-1-4-8-41)35-55(39-57)49-23-15-45(16-24-49)46-17-25-50(26-18-46)56-36-54(38-58(40-56)52-29-33-60(62)34-30-52)48-21-13-44(14-22-48)42-9-5-2-6-10-42/h1-40H.
What are the key properties of 1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene?
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(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-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene is sourced from PubChem (CID 102428633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).