4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole

C44H34N8O2 — CID 89461263

IUPAC4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5OC)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)c(C)c1
InChIInChI=1S/C44H34N8O2/c1-27-5-11-37(40(25-27)54-4)39-16-14-36(42-44(39)50-52(48-42)32-19-23-46-24-20-32)30-8-6-29(7-9-30)35-13-15-38(34-12-10-33(53-3)26-28(34)2)43-41(35)47-51(49-43)31-17-21-45-22-18-31/h5-26H,1-4H3
InChIKeyWZNPABWBPJPNLG-UHFFFAOYSA-N
MW706.81 g/mol
LogP9.25
Rot. Bonds8

About 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole

4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole (PubChem CID 89461263) has the molecular formula C44H34N8O2 and a molecular weight of 706.81 g/mol. Its IUPAC name is 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole.

Molecular Properties

Compound Name4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole
PubChem CID89461263
Molecular FormulaC44H34N8O2
Molecular Weight706.81 g/mol
Exact Mass706.28
IUPAC Name4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5OC)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)c(C)c1
InChIInChI=1S/C44H34N8O2/c1-27-5-11-37(40(25-27)54-4)39-16-14-36(42-44(39)50-52(48-42)32-19-23-46-24-20-32)30-8-6-29(7-9-30)35-13-15-38(34-12-10-33(53-3)26-28(34)2)43-41(35)47-51(49-43)31-17-21-45-22-18-31/h5-26H,1-4H3
InChIKeyWZNPABWBPJPNLG-UHFFFAOYSA-N
XLogP9.25
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole?
The IUPAC name of 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole (CID 89461263) is 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole.
What is the SMILES notation for 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole?
The canonical SMILES for 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole is COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)cc5OC)c5nn(-c6ccncc6)nc45)cc3)c3nn(-c4ccncc4)nc23)c(C)c1.
What is the InChIKey of 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole?
The InChIKey is WZNPABWBPJPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N8O2/c1-27-5-11-37(40(25-27)54-4)39-16-14-36(42-44(39)50-52(48-42)32-19-23-46-24-20-32)30-8-6-29(7-9-30)35-13-15-38(34-12-10-33(53-3)26-28(34)2)43-41(35)47-51(49-43)31-17-21-45-22-18-31/h5-26H,1-4H3.
What are the key properties of 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole?
4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole has a molecular weight of 706.81 g/mol, XLogP of 9.25, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methylphenyl)-7-[4-[7-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylbenzotriazol-4-yl]phenyl]-2-pyridin-4-ylbenzotriazole is sourced from PubChem (CID 89461263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).