[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

C36H32N4OPt — CID 169030749

IUPAC[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)Cc3ccccc3-4)c2)c2ccccc21
InChIInChI=1S/C36H32N4O.Pt/c1-36(2,3)26-18-19-37-35(20-26)39-23-25-10-5-6-13-30(25)31-17-16-29(22-34(31)39)41-28-12-9-11-27(21-28)40-24-38(4)32-14-7-8-15-33(32)40;/h5-22H,23H2,1-4H3;
InChIKeyRIRZDTLWKNZNCR-UHFFFAOYSA-N
MW731.76 g/mol
LogP8.85
Rot. Bonds4

About [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169030749) has the molecular formula C36H32N4OPt and a molecular weight of 731.76 g/mol. Its IUPAC name is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID169030749
Molecular FormulaC36H32N4OPt
Molecular Weight731.76 g/mol
Exact Mass731.22
IUPAC Name[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCn1c(=[Pt])n(-c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)Cc3ccccc3-4)c2)c2ccccc21
InChIInChI=1S/C36H32N4O.Pt/c1-36(2,3)26-18-19-37-35(20-26)39-23-25-10-5-6-13-30(25)31-17-16-29(22-34(31)39)41-28-12-9-11-27(21-28)40-24-38(4)32-14-7-8-15-33(32)40;/h5-22H,23H2,1-4H3;
InChIKeyRIRZDTLWKNZNCR-UHFFFAOYSA-N
XLogP8.85
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.76
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
CID 169066594
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169030748
[1-[3-[[21-(4-tert-butylphenyl)-8-(4-tert-butyl-2-pyridinyl)-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
CID 168796723
[1-[3-[[4-(3,5-ditert-butylphenyl)-1-(4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 169066619
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169030595
[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500194
[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066426
[1-[3-[[10-(4-tert-butyl-2-pyridinyl)-10'-phenyl-9,9'-spirobi[acridine]-3-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796977
[1-[3-[[3,6-ditert-butyl-10'-(4-tert-butyl-2-pyridinyl)-10-phenyl-9,9'-spirobi[acridine]-3'-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796969
[1-[3-tert-butyl-5-[[1-(4-tert-butyl-2-pyridinyl)-4-methyl-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 169066650

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169030749) is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is Cn1c(=[Pt])n(-c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)Cc3ccccc3-4)c2)c2ccccc21.
What is the InChIKey of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is RIRZDTLWKNZNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O.Pt/c1-36(2,3)26-18-19-37-35(20-26)39-23-25-10-5-6-13-30(25)31-17-16-29(22-34(31)39)41-28-12-9-11-27(21-28)40-24-38(4)32-14-7-8-15-33(32)40;/h5-22H,23H2,1-4H3;.
What are the key properties of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 731.76 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-6H-phenanthridin-3-yl]oxy]phenyl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).