2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C33H26N4OPt — CID 153421420

IUPAC2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2
InChIKeyDJLQXYJXJOGCMY-UHFFFAOYSA-N
MW689.68 g/mol
LogP7.62
Rot. Bonds5

About 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421420) has the molecular formula C33H26N4OPt and a molecular weight of 689.68 g/mol. Its IUPAC name is 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421420
Molecular FormulaC33H26N4OPt
Molecular Weight689.68 g/mol
Exact Mass689.18
IUPAC Name2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2
InChIKeyDJLQXYJXJOGCMY-UHFFFAOYSA-N
XLogP7.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.68
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

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CID 168278046
2-(4-methoxy-phenyl)-1-{2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10389831
7-(4-Methoxyphenyl)-10-methyl-2-pentan-3-yl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 44444335
6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 71455565
9-Methyl-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302601
9-(Difluoromethyl)-3-[2-[(3-pyrimidin-5-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 86302603
9-Methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 90656268
9-Methyl-3-[1-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]cyclopropyl]pyrido[2,3-b]indole
CID 90656271
1-Methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707955
1-Methyl-3-[4-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
CID 118707962
4-(4,4-Difluoropiperidin-1-yl)-1-[(3-methoxyphenyl)methyl]pyrrolo[3,2-c]quinoline
CID 168287945
4-[3-[4-[2-(1-Piperidinyl)ethoxy]phenyl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
CID 44223242

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421420) is 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.
What is the InChIKey of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is DJLQXYJXJOGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2.
What are the key properties of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 689.68 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).