1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene

C48H42O3 — CID 70877905

IUPAC1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(c3ccc(OC)cc3)c3ccc(C(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H42O3/c1-49-43-28-22-40(23-29-43)46(34-10-6-4-7-11-34)36-14-18-38(19-15-36)48(42-26-32-45(51-3)33-27-42)39-20-16-37(17-21-39)47(35-12-8-5-9-13-35)41-24-30-44(50-2)31-25-41/h4-33,46-48H,1-3H3
InChIKeyRVCFXUCLLFUKHJ-UHFFFAOYSA-N
MW666.86 g/mol
LogP11.25
Rot. Bonds12

About 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene

1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene (PubChem CID 70877905) has the molecular formula C48H42O3 and a molecular weight of 666.86 g/mol. Its IUPAC name is 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
PubChem CID70877905
Molecular FormulaC48H42O3
Molecular Weight666.86 g/mol
Exact Mass666.31
IUPAC Name1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)c2ccc(C(c3ccc(OC)cc3)c3ccc(C(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H42O3/c1-49-43-28-22-40(23-29-43)46(34-10-6-4-7-11-34)36-14-18-38(19-15-36)48(42-26-32-45(51-3)33-27-42)39-20-16-37(17-21-39)47(35-12-8-5-9-13-35)41-24-30-44(50-2)31-25-41/h4-33,46-48H,1-3H3
InChIKeyRVCFXUCLLFUKHJ-UHFFFAOYSA-N
XLogP11.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.86
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
CID 123600060
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
2-[bromo(phenyl)methyl]-6-methoxynaphthalene
CID 63444351
2-benzhydryl-6-methoxy-1-benzofuran
CID 175356221
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550

Frequently Asked Questions

What is the IUPAC name of 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene?
The IUPAC name of 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene (CID 70877905) is 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene is COc1ccc(C(c2ccccc2)c2ccc(C(c3ccc(OC)cc3)c3ccc(C(c4ccccc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene?
The InChIKey is RVCFXUCLLFUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42O3/c1-49-43-28-22-40(23-29-43)46(34-10-6-4-7-11-34)36-14-18-38(19-15-36)48(42-26-32-45(51-3)33-27-42)39-20-16-37(17-21-39)47(35-12-8-5-9-13-35)41-24-30-44(50-2)31-25-41/h4-33,46-48H,1-3H3.
What are the key properties of 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene?
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene has a molecular weight of 666.86 g/mol, XLogP of 11.25, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene is sourced from PubChem (CID 70877905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).