2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum

C30H23N2O2Pt-3 — CID 139168141

IUPAC2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum
SMILESCc1cc(C)c(/C(=C2\C=CC(c3ccccc3[O-])=N2)c2ccc(-c3ccccc3[O-])[n-]2)c(C)c1.[Pt]
InChIInChI=1S/C30H25N2O2.Pt/c1-18-16-19(2)29(20(3)17-18)30(25-14-12-23(31-25)21-8-4-6-10-27(21)33)26-15-13-24(32-26)22-9-5-7-11-28(22)34;/h4-17H,1-3H3,(H2-,31,32,33,34);/q-1;/p-2
InChIKeyMFURMNDUZRXRDS-UHFFFAOYSA-L
MW638.60 g/mol
LogP5.20
Rot. Bonds4

About 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum

2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum (PubChem CID 139168141) has the molecular formula C30H23N2O2Pt-3 and a molecular weight of 638.60 g/mol. Its IUPAC name is 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum.

Molecular Properties

Compound Name2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum
PubChem CID139168141
Molecular FormulaC30H23N2O2Pt-3
Molecular Weight638.60 g/mol
Exact Mass638.14
IUPAC Name2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum
SMILESCc1cc(C)c(/C(=C2\C=CC(c3ccccc3[O-])=N2)c2ccc(-c3ccccc3[O-])[n-]2)c(C)c1.[Pt]
InChIInChI=1S/C30H25N2O2.Pt/c1-18-16-19(2)29(20(3)17-18)30(25-14-12-23(31-25)21-8-4-6-10-27(21)33)26-15-13-24(32-26)22-9-5-7-11-28(22)34;/h4-17H,1-3H3,(H2-,31,32,33,34);/q-1;/p-2
InChIKeyMFURMNDUZRXRDS-UHFFFAOYSA-L
XLogP5.20
TPSA72.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.60
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166642898
10b-fluoro-7-phenyl-10bH-11-oxa-4b1l4,10a-diaza-10bl4-boracyclopenta[e]aceanthrylene
CID 166642901
(1R)-15-fluoro-1,7-diphenyl-18-oxa-19-aza-2-azonia-1-boranuidapentacyclo[9.7.1.02,6.08,19.012,17]nonadeca-2,4,6,8,10,12(17),13,15-octaene
CID 166642905
7-(4-fluorophenyl)-10b-phenyl-10bH-11-oxa-4b1l4,10a-diaza-10bl4-boracyclopenta[e]aceanthrylene
CID 166642910
10b-phenyl-7-(3-(trifluoromethyl)phenyl)-10bH-11-oxa-4b1l4,10a-diaza-10bl4-boracyclopenta[e]aceanthrylene
CID 166642911
17-Phenyl-2,32-dioxa-34-aza-33-azonia-1-boranuidanonacyclo[16.14.1.11,9.03,8.010,15.019,24.025,33.026,31.016,34]tetratriaconta-3,5,7,9,11,13,15,17,19,21,23,25(33),26,28,30-pentadecaene
CID 173853132
12,22-Bis(4-fluorophenyl)-2,32-dioxa-34-aza-33-azonia-1-boranuidanonacyclo[16.14.1.11,9.03,8.010,15.019,24.025,33.026,31.016,34]tetratriaconta-3,5,7,9,11,13,15,17,19(24),20,22,25(33),26,28,30-pentadecaene
CID 141646645
2-[(3,4-Diethyl-6-methylisoquinolin-1-yl)-(4-methylphenyl)methyl]phenol
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CID 76152019
1-Naphthalen-1-yl-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 102080100
1-(2-Methoxyphenyl)-3-naphthalen-2-ylisoquinoline
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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum?
The IUPAC name of 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum (CID 139168141) is 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum.
What is the SMILES notation for 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum?
The canonical SMILES for 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum is Cc1cc(C)c(/C(=C2\C=CC(c3ccccc3[O-])=N2)c2ccc(-c3ccccc3[O-])[n-]2)c(C)c1.[Pt].
What is the InChIKey of 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum?
The InChIKey is MFURMNDUZRXRDS-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H25N2O2.Pt/c1-18-16-19(2)29(20(3)17-18)30(25-14-12-23(31-25)21-8-4-6-10-27(21)33)26-15-13-24(32-26)22-9-5-7-11-28(22)34;/h4-17H,1-3H3,(H2-,31,32,33,34);/q-1;/p-2.
What are the key properties of 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum?
2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum has a molecular weight of 638.60 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[[5-(2-oxidophenyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]pyrrol-2-yl]phenolate;platinum is sourced from PubChem (CID 139168141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).