tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate

C141H117BO3 — CID 159635362

IUPACtris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate
SMILESCc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.[O-]B([O-])[O-]
InChIInChI=1S/3C47H39.BO3/c3*1-32-15-23-36(24-16-32)42-31-43(44(37-11-7-5-8-12-37)38-13-9-6-10-14-38)46(40-27-19-34(3)20-28-40)47(41-29-21-35(4)22-30-41)45(42)39-25-17-33(2)18-26-39;2-1(3)4/h3*5-31H,1-4H3;/q3*+1;-3
InChIKeyMPRCGIUMSCUBTR-UHFFFAOYSA-N
MW1870.30 g/mol
LogP33.87
Rot. Bonds21

About tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate

tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate (PubChem CID 159635362) has the molecular formula C141H117BO3 and a molecular weight of 1870.30 g/mol. Its IUPAC name is tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate.

Molecular Properties

Compound Nametris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate
PubChem CID159635362
Molecular FormulaC141H117BO3
Molecular Weight1870.30 g/mol
Exact Mass1868.91
IUPAC Nametris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate
SMILESCc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.[O-]B([O-])[O-]
InChIInChI=1S/3C47H39.BO3/c3*1-32-15-23-36(24-16-32)42-31-43(44(37-11-7-5-8-12-37)38-13-9-6-10-14-38)46(40-27-19-34(3)20-28-40)47(41-29-21-35(4)22-30-41)45(42)39-25-17-33(2)18-26-39;2-1(3)4/h3*5-31H,1-4H3;/q3*+1;-3
InChIKeyMPRCGIUMSCUBTR-UHFFFAOYSA-N
XLogP33.87
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001870.30
LogP ≤ 533.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
phosphanium 2,3,4,5-tetraphenylphenolate
CID 87286180
lithium 2,3,4,5-tetraphenylphenolate
CID 122517105
methane;1-(3-methylphenyl)-2,3,4,5-tetraphenylbenzene
CID 142335654
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4-(4-methylphenyl)-3-[2-(4-methylphenyl)phenyl]-5,6-diphenylbenzene-1,2-diamine
CID 54480276

Frequently Asked Questions

What is the IUPAC name of tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate?
The IUPAC name of tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate (CID 159635362) is tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate.
What is the SMILES notation for tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate?
The canonical SMILES for tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate is Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.Cc1ccc(-c2cc([C+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1.[O-]B([O-])[O-].
What is the InChIKey of tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate?
The InChIKey is MPRCGIUMSCUBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H39.BO3/c3*1-32-15-23-36(24-16-32)42-31-43(44(37-11-7-5-8-12-37)38-13-9-6-10-14-38)46(40-27-19-34(3)20-28-40)47(41-29-21-35(4)22-30-41)45(42)39-25-17-33(2)18-26-39;2-1(3)4/h3*5-31H,1-4H3;/q3*+1;-3.
What are the key properties of tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate?
tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate has a molecular weight of 1870.30 g/mol, XLogP of 33.87, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-(diphenylmethyl)-2,3,4,5-tetrakis(4-methylphenyl)benzene);borate is sourced from PubChem (CID 159635362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).