1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

C34H46 — CID 20692314

IUPAC1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C34H46/c1-16-19(4)25(10)31(26(11)20(16)5)34(32-27(12)21(6)17(2)22(7)28(32)13)33-29(14)23(8)18(3)24(9)30(33)15/h34H,1-15H3
InChIKeyQWPMBETVSVXOND-UHFFFAOYSA-N
MW454.74 g/mol
LogP9.49
Rot. Bonds3

About 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene

1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (PubChem CID 20692314) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
PubChem CID20692314
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Name1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
SMILESCc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C34H46/c1-16-19(4)25(10)31(26(11)20(16)5)34(32-27(12)21(6)17(2)22(7)28(32)13)33-29(14)23(8)18(3)24(9)30(33)15/h34H,1-15H3
InChIKeyQWPMBETVSVXOND-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 59.49
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

1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
CID 11072056
1,2,3,4,5-pentamethyl-6-[(1S)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
CID 7038972
1,2,3,4,5-pentamethyl-6-[(1R)-1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)ethoxy]ethyl]benzene
CID 7038971
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
1-(1-chloro-2-methylbutyl)-2,3,4,5,6-pentamethylbenzene
CID 63430342
1-butan-2-yl-2,3,4,5,6-pentamethylbenzene
CID 18724216
1-[chloro(phenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 2776679
1-[chloro(cyclopentyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429660
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
CID 159127146

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene (CID 20692314) is 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is Cc1c(C)c(C)c(C(c2c(C)c(C)c(C)c(C)c2C)c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
The InChIKey is QWPMBETVSVXOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46/c1-16-19(4)25(10)31(26(11)20(16)5)34(32-27(12)21(6)17(2)22(7)28(32)13)33-29(14)23(8)18(3)24(9)30(33)15/h34H,1-15H3.
What are the key properties of 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene?
1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene has a molecular weight of 454.74 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2,3,4,5,6-pentamethylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 20692314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).