1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene

C54H70 — CID 149461668

IUPAC1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene
SMILESCc1c(C)c(C)c(Cc2cc(Cc3c(C)c(C)c(C)c(C)c3C)c(Cc3c(C)c(C)c(C)c(C)c3C)cc2Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C54H70/c1-27-31(5)39(13)51(40(14)32(27)6)23-47-21-49(25-53-43(17)35(9)29(3)36(10)44(53)18)50(26-54-45(19)37(11)30(4)38(12)46(54)20)22-48(47)24-52-41(15)33(7)28(2)34(8)42(52)16/h21-22H,23-26H2,1-20H3
InChIKeyYZQBZVBIJIQORI-UHFFFAOYSA-N
MW719.15 g/mol
LogP14.22
Rot. Bonds8

About 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene

1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene (PubChem CID 149461668) has the molecular formula C54H70 and a molecular weight of 719.15 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene
PubChem CID149461668
Molecular FormulaC54H70
Molecular Weight719.15 g/mol
Exact Mass718.55
IUPAC Name1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene
SMILESCc1c(C)c(C)c(Cc2cc(Cc3c(C)c(C)c(C)c(C)c3C)c(Cc3c(C)c(C)c(C)c(C)c3C)cc2Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C54H70/c1-27-31(5)39(13)51(40(14)32(27)6)23-47-21-49(25-53-43(17)35(9)29(3)36(10)44(53)18)50(26-54-45(19)37(11)30(4)38(12)46(54)20)22-48(47)24-52-41(15)33(7)28(2)34(8)42(52)16/h21-22H,23-26H2,1-20H3
InChIKeyYZQBZVBIJIQORI-UHFFFAOYSA-N
XLogP14.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.15
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 23533123
ethane;1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 91299568
1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
[2,4-dimethyl-3,5-bis(sulfanylmethyl)phenyl]methanethiol
CID 20502908
1,3,5-tris(chloromethyl)-2,4-dimethylbenzene
CID 4130329
5-(aminomethyl)-2,3,4-trimethylaniline
CID 23346989
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
1,2,3,4-tetramethyl-5-[2-(2,3,4,5-tetramethylphenyl)ethyl]benzene
CID 19828908
benzene;ethane;1,2,3,4,5-pentamethylbenzene;propane
CID 91269426
[3-[di(propan-2-yl)phosphanylmethyl]-2,4,6-trimethylphenyl]methyl-di(propan-2-yl)phosphane
CID 10886529
1,2-bis(isocyanatomethyl)benzene;1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethylbenzene
CID 87694803
sodium (2,3,4,5,6-pentamethylphenyl)methanethiolate
CID 59908163

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene (CID 149461668) is 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene is Cc1c(C)c(C)c(Cc2cc(Cc3c(C)c(C)c(C)c(C)c3C)c(Cc3c(C)c(C)c(C)c(C)c3C)cc2Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene?
The InChIKey is YZQBZVBIJIQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H70/c1-27-31(5)39(13)51(40(14)32(27)6)23-47-21-49(25-53-43(17)35(9)29(3)36(10)44(53)18)50(26-54-45(19)37(11)30(4)38(12)46(54)20)22-48(47)24-52-41(15)33(7)28(2)34(8)42(52)16/h21-22H,23-26H2,1-20H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene?
1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene has a molecular weight of 719.15 g/mol, XLogP of 14.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[[2,4,5-tris[(2,3,4,5,6-pentamethylphenyl)methyl]phenyl]methyl]benzene is sourced from PubChem (CID 149461668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).