2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene

C40H40Br2O2 — CID 146167530

IUPAC2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene
SMILESCOC(c1ccc(Br)cc1)(c1ccc(C(OC)(c2ccc(Br)cc2)c2c(C)cc(C)cc2C)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C40H40Br2O2/c1-25-21-27(3)37(28(4)22-25)39(43-7,33-13-17-35(41)18-14-33)31-9-11-32(12-10-31)40(44-8,34-15-19-36(42)20-16-34)38-29(5)23-26(2)24-30(38)6/h9-24H,1-8H3
InChIKeyUBOJNXDJSGOFHF-UHFFFAOYSA-N
MW712.57 g/mol
LogP10.94
Rot. Bonds8

About 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene

2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene (PubChem CID 146167530) has the molecular formula C40H40Br2O2 and a molecular weight of 712.57 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene
PubChem CID146167530
Molecular FormulaC40H40Br2O2
Molecular Weight712.57 g/mol
Exact Mass710.14
IUPAC Name2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene
SMILESCOC(c1ccc(Br)cc1)(c1ccc(C(OC)(c2ccc(Br)cc2)c2c(C)cc(C)cc2C)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C40H40Br2O2/c1-25-21-27(3)37(28(4)22-25)39(43-7,33-13-17-35(41)18-14-33)31-9-11-32(12-10-31)40(44-8,34-15-19-36(42)20-16-34)38-29(5)23-26(2)24-30(38)6/h9-24H,1-8H3
InChIKeyUBOJNXDJSGOFHF-UHFFFAOYSA-N
XLogP10.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.57
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-[(4-bromophenyl)methoxy]-1,1,1-trifluoro-5-methyl-2-naphthalen-2-ylhex-3-yn-2-ol
CID 139037908
1,4-Bis[methoxy(diphenyl)methyl]-2,5-bis(2-phenylethynyl)benzene
CID 44473446
3,6-Bis(4-bromophenyl)-3,6-dimethoxycyclohexa-1,4-diene
CID 62705205
1,4-Bis[4-[4-(4-bromophenyl)-1,4-bis(methoxymethoxy)cyclohexyl]phenyl]benzene
CID 88917752
(1S,4R)-1,4-bis(4-bromonaphthalen-1-yl)-1,4-dimethoxynaphthalene
CID 89989807
Bis[[1-(4-bromophenyl)-1-phenyl]methyl]ether
CID 129855011
2-Bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene
CID 141361731
1-Bromo-4-[bromo(difluoro)methyl]benzene;1-[4-[bromo(difluoro)methyl]phenyl]-2-fluoro-4-(4-propylphenyl)benzene;1-[4-[difluoro(trifluoromethoxy)methyl]phenyl]-2-fluoro-4-(4-propylphenyl)benzene;[2-fluoro-4-(4-propylphenyl)phenyl]boronic acid
CID 159745676
4-Bromo-1-[bromo(difluoro)methyl]-2-fluorobenzene;1-[bromo(difluoro)methyl]-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;[4-(4-propylcyclohexyl)phenyl]boronic acid
CID 160276374
[3,8-Dibromo-6-[hydroxy(diphenyl)methyl]pyren-1-yl]-diphenylmethanol
CID 21595757
1-Bromo-4-[4-(4-bromophenyl)-1,4-dimethoxycyclohexyl]benzene
CID 91021236
1-Bromo-4-[methoxy(diphenyl)methyl]benzene
CID 92275588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene (CID 146167530) is 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene is COC(c1ccc(Br)cc1)(c1ccc(C(OC)(c2ccc(Br)cc2)c2c(C)cc(C)cc2C)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene?
The InChIKey is UBOJNXDJSGOFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40Br2O2/c1-25-21-27(3)37(28(4)22-25)39(43-7,33-13-17-35(41)18-14-33)31-9-11-32(12-10-31)40(44-8,34-15-19-36(42)20-16-34)38-29(5)23-26(2)24-30(38)6/h9-24H,1-8H3.
What are the key properties of 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene?
2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene has a molecular weight of 712.57 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-[4-[(4-bromophenyl)-methoxy-(2,4,6-trimethylphenyl)methyl]phenyl]-methoxymethyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 146167530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).