1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene

C61H44O — CID 138981847

IUPAC1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H44O/c1-62-55-41-39-48(40-42-55)47-31-37-54(38-32-47)61-57(50-23-13-5-14-24-50)59(52-33-27-45(28-34-52)43-17-7-2-8-18-43)56(49-21-11-4-12-22-49)60(58(61)51-25-15-6-16-26-51)53-35-29-46(30-36-53)44-19-9-3-10-20-44/h2-42H,1H3
InChIKeyBRZHVIJLLYEXDH-UHFFFAOYSA-N
MW793.02 g/mol
LogP16.70
Rot. Bonds10

About 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene

1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene (PubChem CID 138981847) has the molecular formula C61H44O and a molecular weight of 793.02 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
PubChem CID138981847
Molecular FormulaC61H44O
Molecular Weight793.02 g/mol
Exact Mass792.34
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H44O/c1-62-55-41-39-48(40-42-55)47-31-37-54(38-32-47)61-57(50-23-13-5-14-24-50)59(52-33-27-45(28-34-52)43-17-7-2-8-18-43)56(49-21-11-4-12-22-49)60(58(61)51-25-15-6-16-26-51)53-35-29-46(30-36-53)44-19-9-3-10-20-44/h2-42H,1H3
InChIKeyBRZHVIJLLYEXDH-UHFFFAOYSA-N
XLogP16.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.02
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
1-Methoxyphenanthrene
CID 43547
Multicaulin
CID 467782
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
4,4''-Dimethoxy-1,1':3',1''-terphenyl
CID 4608762
4,4'-Bis(2-(2-methoxyphenyl)ethenyl)-1,1'-biphenyl
CID 170381
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene (CID 138981847) is 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene is COc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene?
The InChIKey is BRZHVIJLLYEXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44O/c1-62-55-41-39-48(40-42-55)47-31-37-54(38-32-47)61-57(50-23-13-5-14-24-50)59(52-33-27-45(28-34-52)43-17-7-2-8-18-43)56(49-21-11-4-12-22-49)60(58(61)51-25-15-6-16-26-51)53-35-29-46(30-36-53)44-19-9-3-10-20-44/h2-42H,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene?
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene has a molecular weight of 793.02 g/mol, XLogP of 16.70, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene is sourced from PubChem (CID 138981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).