[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum

C40H32N4OPt — CID 176871184

IUPAC[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1cc(C)c(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc(C)ccc6n(-c6ccccn6)c5c4)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C40H32N4O.Pt/c1-26-15-18-35-34(22-26)33-17-16-32(24-38(33)44(35)39-14-7-8-19-41-39)45-31-11-9-10-30(23-31)42-25-43(37-13-6-5-12-36(37)42)40-28(3)20-27(2)21-29(40)4;/h5-24H,1-4H3;
InChIKeyDBDDCALUBFRFGV-UHFFFAOYSA-N
MW779.80 g/mol
LogP10.02
Rot. Bonds5

About [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 176871184) has the molecular formula C40H32N4OPt and a molecular weight of 779.80 g/mol. Its IUPAC name is [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
PubChem CID176871184
Molecular FormulaC40H32N4OPt
Molecular Weight779.80 g/mol
Exact Mass779.22
IUPAC Name[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
SMILESCc1cc(C)c(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc(C)ccc6n(-c6ccccn6)c5c4)c3)c3ccccc32)c(C)c1
InChIInChI=1S/C40H32N4O.Pt/c1-26-15-18-35-34(22-26)33-17-16-32(24-38(33)44(35)39-14-7-8-19-41-39)45-31-11-9-10-30(23-31)42-25-43(37-13-6-5-12-36(37)42)40-28(3)20-27(2)21-29(40)4;/h5-24H,1-4H3;
InChIKeyDBDDCALUBFRFGV-UHFFFAOYSA-N
XLogP10.02
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.80
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871172
9-pyridin-2-yl-2-[3-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 140958316
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
[1-(4-carbazol-9-yl-2,6-diphenylphenyl)-3-[3-[9-(4-methyl-5-pyridin-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
CID 165167722
[1-(3-tert-butylphenyl)-3-[4-tert-butyl-3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5,6-dimethylbenzimidazol-2-ylidene]platinum
CID 176871112
[1-(2,6-diphenylphenyl)-3-[3-(5-pyridin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]-3-yl)oxyphenyl]benzimidazol-2-ylidene]platinum
CID 177099172
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
[1-[3-[9-(4-tert-butyl-2-pyridinyl)-6,8-dimethylcarbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804195
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592
[1-[3-[9-[5-(2,6-dimethyl-4-pyridinyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167740

Frequently Asked Questions

What is the IUPAC name of [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum (CID 176871184) is [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(C)c(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c6cc(C)ccc6n(-c6ccccn6)c5c4)c3)c3ccccc32)c(C)c1.
What is the InChIKey of [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum?
The InChIKey is DBDDCALUBFRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4O.Pt/c1-26-15-18-35-34(22-26)33-17-16-32(24-38(33)44(35)39-14-7-8-19-41-39)45-31-11-9-10-30(23-31)42-25-43(37-13-6-5-12-36(37)42)40-28(3)20-27(2)21-29(40)4;/h5-24H,1-4H3;.
What are the key properties of [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum?
[1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 779.80 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(6-methyl-9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 176871184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).