2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

C54H42N4O4 — CID 134947596

IUPAC2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc4ccccc4c3-c3c(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)[nH]4)ccc4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C54H42N4O4/c1-59-39-23-13-35(14-24-39)49-50(36-15-25-40(60-2)26-16-36)56-53(55-49)45-31-21-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)22-32-46(48)54-57-51(37-17-27-41(61-3)28-18-37)52(58-54)38-19-29-42(62-4)30-20-38/h5-32H,1-4H3,(H,55,56)(H,57,58)
InChIKeyGWNZTCBMHFYATR-UHFFFAOYSA-N
MW810.95 g/mol
LogP13.14
Rot. Bonds11

About 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole (PubChem CID 134947596) has the molecular formula C54H42N4O4 and a molecular weight of 810.95 g/mol. Its IUPAC name is 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
PubChem CID134947596
Molecular FormulaC54H42N4O4
Molecular Weight810.95 g/mol
Exact Mass810.32
IUPAC Name2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc4ccccc4c3-c3c(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)[nH]4)ccc4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C54H42N4O4/c1-59-39-23-13-35(14-24-39)49-50(36-15-25-40(60-2)26-16-36)56-53(55-49)45-31-21-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)22-32-46(48)54-57-51(37-17-27-41(61-3)28-18-37)52(58-54)38-19-29-42(62-4)30-20-38/h5-32H,1-4H3,(H,55,56)(H,57,58)
InChIKeyGWNZTCBMHFYATR-UHFFFAOYSA-N
XLogP13.14
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.95
LogP ≤ 513.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The IUPAC name of 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole (CID 134947596) is 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The canonical SMILES for 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole is COc1ccc(-c2nc(-c3ccc4ccccc4c3-c3c(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)[nH]4)ccc4ccccc34)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole?
The InChIKey is GWNZTCBMHFYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4O4/c1-59-39-23-13-35(14-24-39)49-50(36-15-25-40(60-2)26-16-36)56-53(55-49)45-31-21-33-9-5-7-11-43(33)47(45)48-44-12-8-6-10-34(44)22-32-46(48)54-57-51(37-17-27-41(61-3)28-18-37)52(58-54)38-19-29-42(62-4)30-20-38/h5-32H,1-4H3,(H,55,56)(H,57,58).
What are the key properties of 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole?
2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole has a molecular weight of 810.95 g/mol, XLogP of 13.14, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole is sourced from PubChem (CID 134947596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).