2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum

C34H22N2O2Pt — CID 164778996

IUPAC2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum
SMILESOc1ccccc1-c1ccc2/c(n1)=c1/nc(-c3ccccc3O)cc/c1=c1\cccc\c1=c1/cccc/c1=2.[Pt]
InChIInChI=1S/C34H22N2O2.Pt/c37-31-15-7-5-13-27(31)29-19-17-25-23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-18-20-30(36-34(26)33(25)35-29)28-14-6-8-16-32(28)38;/h1-20,37-38H;/b22-21-,25-23-,26-24-,34-33-;
InChIKeyVQBMCWRVJIHLGC-RHSDNRBXSA-N
MW685.64 g/mol
LogP6.68
Rot. Bonds2

About 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum

2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum (PubChem CID 164778996) has the molecular formula C34H22N2O2Pt and a molecular weight of 685.64 g/mol. Its IUPAC name is 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum.

Molecular Properties

Compound Name2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum
PubChem CID164778996
Molecular FormulaC34H22N2O2Pt
Molecular Weight685.64 g/mol
Exact Mass685.13
IUPAC Name2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum
SMILESOc1ccccc1-c1ccc2/c(n1)=c1/nc(-c3ccccc3O)cc/c1=c1\cccc\c1=c1/cccc/c1=2.[Pt]
InChIInChI=1S/C34H22N2O2.Pt/c37-31-15-7-5-13-27(31)29-19-17-25-23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-18-20-30(36-34(26)33(25)35-29)28-14-6-8-16-32(28)38;/h1-20,37-38H;/b22-21-,25-23-,26-24-,34-33-;
InChIKeyVQBMCWRVJIHLGC-RHSDNRBXSA-N
XLogP6.68
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.64
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum with MolForge

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Related Compounds

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2-[2-(chloromethyl)pyrimidin-4-yl]phenol
CID 174635932
2-[9-(2-hydroxyphenyl)-4,7-dimethyl-1,10-phenanthrolin-2-yl]phenol;platinum
CID 135975765
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CID 105449568
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
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2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
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[2-(2-hydroxyphenyl)phenyl]boronic acid
CID 154274054

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum?
The IUPAC name of 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum (CID 164778996) is 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum.
What is the SMILES notation for 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum?
The canonical SMILES for 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum is Oc1ccccc1-c1ccc2/c(n1)=c1/nc(-c3ccccc3O)cc/c1=c1\cccc\c1=c1/cccc/c1=2.[Pt].
What is the InChIKey of 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum?
The InChIKey is VQBMCWRVJIHLGC-RHSDNRBXSA-N. The full InChI is InChI=1S/C34H22N2O2.Pt/c37-31-15-7-5-13-27(31)29-19-17-25-23-11-3-1-9-21(23)22-10-2-4-12-24(22)26-18-20-30(36-34(26)33(25)35-29)28-14-6-8-16-32(28)38;/h1-20,37-38H;/b22-21-,25-23-,26-24-,34-33-;.
What are the key properties of 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum?
2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum has a molecular weight of 685.64 g/mol, XLogP of 6.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum is sourced from PubChem (CID 164778996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).