9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole

C40H29N5O4 — CID 158262065

IUPAC9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
SMILES[2H]C([2H])([2H])c1cnc(-n2c3cc(Oc4cccc(Oc5ccccn5)c4)ccc3c3ccc(Oc4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C40H29N5O4/c1-26-25-43-40(44-27(26)2)45-36-23-32(46-28-9-7-11-30(21-28)48-38-13-3-5-19-41-38)15-17-34(36)35-18-16-33(24-37(35)45)47-29-10-8-12-31(22-29)49-39-14-4-6-20-42-39/h3-25H,1-2H3/i1D3
InChIKeyLHLKFMUPQJDXMQ-FIBGUPNXSA-N
MW646.72 g/mol
LogP10.15
Rot. Bonds10

About 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole

9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole (PubChem CID 158262065) has the molecular formula C40H29N5O4 and a molecular weight of 646.72 g/mol. Its IUPAC name is 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole.

Molecular Properties

Compound Name9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
PubChem CID158262065
Molecular FormulaC40H29N5O4
Molecular Weight646.72 g/mol
Exact Mass646.24
IUPAC Name9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole
SMILES[2H]C([2H])([2H])c1cnc(-n2c3cc(Oc4cccc(Oc5ccccn5)c4)ccc3c3ccc(Oc4cccc(Oc5ccccn5)c4)cc32)nc1C
InChIInChI=1S/C40H29N5O4/c1-26-25-43-40(44-27(26)2)45-36-23-32(46-28-9-7-11-30(21-28)48-38-13-3-5-19-41-38)15-17-34(36)35-18-16-33(24-37(35)45)47-29-10-8-12-31(22-29)49-39-14-4-6-20-42-39/h3-25H,1-2H3/i1D3
InChIKeyLHLKFMUPQJDXMQ-FIBGUPNXSA-N
XLogP10.15
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.72
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[(6-methyl-2-pyridinyl)oxy]phenoxy]-9-pyrimidin-2-yl-7-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]carbazole
CID 158786352
2,7-bis[methyl-(3-pyridin-2-yloxyphenyl)phosphoryl]-9-pyrimidin-2-ylcarbazole
CID 157231974
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
16-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 140680723
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 140729932
9-[1-[3-(3-pyridin-2-yloxyphenoxy)phenyl]triazol-4-yl]carbazole
CID 140731223
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
2-(3-methyl-1H-pyrazol-5-yl)-6-[3-[[6-(3-pyridin-2-yloxyphenoxy)-2-pyridinyl]oxy]phenoxy]pyridine
CID 140597832

Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole?
The IUPAC name of 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole (CID 158262065) is 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole.
What is the SMILES notation for 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole?
The canonical SMILES for 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole is [2H]C([2H])([2H])c1cnc(-n2c3cc(Oc4cccc(Oc5ccccn5)c4)ccc3c3ccc(Oc4cccc(Oc5ccccn5)c4)cc32)nc1C.
What is the InChIKey of 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole?
The InChIKey is LHLKFMUPQJDXMQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C40H29N5O4/c1-26-25-43-40(44-27(26)2)45-36-23-32(46-28-9-7-11-30(21-28)48-38-13-3-5-19-41-38)15-17-34(36)35-18-16-33(24-37(35)45)47-29-10-8-12-31(22-29)49-39-14-4-6-20-42-39/h3-25H,1-2H3/i1D3.
What are the key properties of 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole?
9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole has a molecular weight of 646.72 g/mol, XLogP of 10.15, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-5-(trideuteriomethyl)pyrimidin-2-yl]-2,7-bis(3-pyridin-2-yloxyphenoxy)carbazole is sourced from PubChem (CID 158262065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).