2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene

C50H42O4 — CID 102295404

IUPAC2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(C(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C50H42O4/c1-51-39-23-13-35(14-24-39)47(36-15-25-40(52-2)26-16-36)45-31-21-33-9-5-7-11-43(33)49(45)50-44-12-8-6-10-34(44)22-32-46(50)48(37-17-27-41(53-3)28-18-37)38-19-29-42(54-4)30-20-38/h5-32,47-48H,1-4H3
InChIKeyHNUFRLFWMRHPGO-UHFFFAOYSA-N
MW706.88 g/mol
LogP12.05
Rot. Bonds11

About 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene

2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene (PubChem CID 102295404) has the molecular formula C50H42O4 and a molecular weight of 706.88 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene
PubChem CID102295404
Molecular FormulaC50H42O4
Molecular Weight706.88 g/mol
Exact Mass706.31
IUPAC Name2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(C(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C50H42O4/c1-51-39-23-13-35(14-24-39)47(36-15-25-40(52-2)26-16-36)45-31-21-33-9-5-7-11-43(33)49(45)50-44-12-8-6-10-34(44)22-32-46(50)48(37-17-27-41(53-3)28-18-37)38-19-29-42(54-4)30-20-38/h5-32,47-48H,1-4H3
InChIKeyHNUFRLFWMRHPGO-UHFFFAOYSA-N
XLogP12.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.88
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene?
The IUPAC name of 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene (CID 102295404) is 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene is COc1ccc(C(c2ccc(OC)cc2)c2ccc3ccccc3c2-c2c(C(c3ccc(OC)cc3)c3ccc(OC)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene?
The InChIKey is HNUFRLFWMRHPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42O4/c1-51-39-23-13-35(14-24-39)47(36-15-25-40(52-2)26-16-36)45-31-21-33-9-5-7-11-43(33)49(45)50-44-12-8-6-10-34(44)22-32-46(50)48(37-17-27-41(53-3)28-18-37)38-19-29-42(54-4)30-20-38/h5-32,47-48H,1-4H3.
What are the key properties of 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene?
2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene has a molecular weight of 706.88 g/mol, XLogP of 12.05, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 102295404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).