1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene

C63H48 — CID 171724234

IUPAC1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
SMILESCc1ccccc1-c1cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C63H48/c1-47-24-20-21-41-61(47)52-43-50(48-25-22-39-59(45-48)62(53-27-8-2-9-28-53,54-29-10-3-11-30-54)55-31-12-4-13-32-55)42-51(44-52)49-26-23-40-60(46-49)63(56-33-14-5-15-34-56,57-35-16-6-17-36-57)58-37-18-7-19-38-58/h2-46H,1H3
InChIKeyNRJFXSISRLQOKQ-UHFFFAOYSA-N
MW805.08 g/mol
LogP15.76
Rot. Bonds11

About 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene

1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene (PubChem CID 171724234) has the molecular formula C63H48 and a molecular weight of 805.08 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene.

Molecular Properties

Compound Name1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
PubChem CID171724234
Molecular FormulaC63H48
Molecular Weight805.08 g/mol
Exact Mass804.38
IUPAC Name1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
SMILESCc1ccccc1-c1cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C63H48/c1-47-24-20-21-41-61(47)52-43-50(48-25-22-39-59(45-48)62(53-27-8-2-9-28-53,54-29-10-3-11-30-54)55-31-12-4-13-32-55)42-51(44-52)49-26-23-40-60(46-49)63(56-33-14-5-15-34-56,57-35-16-6-17-36-57)58-37-18-7-19-38-58/h2-46H,1H3
InChIKeyNRJFXSISRLQOKQ-UHFFFAOYSA-N
XLogP15.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.08
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
2-(2,6-dimethylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;[3-[4-(2-methylphenyl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 158046527
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
4-(3-tritylphenyl)pyridine
CID 174423529
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene?
The IUPAC name of 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene (CID 171724234) is 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene.
What is the SMILES notation for 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene?
The canonical SMILES for 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene is Cc1ccccc1-c1cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene?
The InChIKey is NRJFXSISRLQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48/c1-47-24-20-21-41-61(47)52-43-50(48-25-22-39-59(45-48)62(53-27-8-2-9-28-53,54-29-10-3-11-30-54)55-31-12-4-13-32-55)42-51(44-52)49-26-23-40-60(46-49)63(56-33-14-5-15-34-56,57-35-16-6-17-36-57)58-37-18-7-19-38-58/h2-46H,1H3.
What are the key properties of 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene?
1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene has a molecular weight of 805.08 g/mol, XLogP of 15.76, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene is sourced from PubChem (CID 171724234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).