2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)

C82H56N6O2Pd — CID 157172422

IUPAC2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.Cc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[Pd+2]
InChIInChI=1S/C41H29N3O.C41H27N3O.Pd/c2*1-28-35(31-19-17-30(18-20-31)29-10-3-2-4-11-29)23-25-43-41(28)32-12-9-13-33(26-32)45-34-21-22-37-36-14-5-6-15-38(36)44(39(37)27-34)40-16-7-8-24-42-40;/h2-27H,1H3;2-25H,1H3;/q;-2;+2
InChIKeyXXKYBVZDAKQDFL-UHFFFAOYSA-N
MW1263.81 g/mol
LogP20.95
Rot. Bonds12

About 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)

2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) (PubChem CID 157172422) has the molecular formula C82H56N6O2Pd and a molecular weight of 1263.81 g/mol. Its IUPAC name is 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+).

Molecular Properties

Compound Name2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
PubChem CID157172422
Molecular FormulaC82H56N6O2Pd
Molecular Weight1263.81 g/mol
Exact Mass1262.35
IUPAC Name2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)
SMILESCc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.Cc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[Pd+2]
InChIInChI=1S/C41H29N3O.C41H27N3O.Pd/c2*1-28-35(31-19-17-30(18-20-31)29-10-3-2-4-11-29)23-25-43-41(28)32-12-9-13-33(26-32)45-34-21-22-37-36-14-5-6-15-38(36)44(39(37)27-34)40-16-7-8-24-42-40;/h2-27H,1H3;2-25H,1H3;/q;-2;+2
InChIKeyXXKYBVZDAKQDFL-UHFFFAOYSA-N
XLogP20.95
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.81
LogP ≤ 520.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
(1S,3S)-N1-((5-(benzyloxy)-1-methyl-1H-indol-3-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclopentane-1,3-diamine
CID 44442148
7-[5-[(2-ethyl-4-piperazin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2R)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304040
7-[5-[(2-ethyl-4-piperazin-1-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304041
7-[5-[(2-ethyl-4-morpholin-4-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2R)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304060
7-[5-[(2-ethyl-4-methylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304111
7-[5-[(2-ethyl-4-morpholin-4-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]-5-[(2S)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304164
2-[1-[7-[5-[2-(dimethylamino)ethoxy]indol-1-yl]-1,8-naphthyridin-2-yl]indol-5-yl]oxy-N,N-dimethylethanamine
CID 163196416
14-[3-(9-Phenylcarbazol-3-yl)carbazol-9-yl]-4-(trifluoromethyl)-8-oxa-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 146413718
9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421418
9-(4-Tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole
CID 155100433
3,6-diphenyl-2-[3-phenyl-5-[(4-phenyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;6-methyl-9-(4-phenyl-2-pyridinyl)-2-[3-[(4-phenyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-3-(trifluoromethyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 157349374

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The IUPAC name of 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) (CID 157172422) is 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+).
What is the SMILES notation for 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The canonical SMILES for 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) is Cc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc1.Cc1c(-c2ccc(-c3ccccc3)cc2)ccnc1-c1cccc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)c1.[Pd+2].
What is the InChIKey of 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
The InChIKey is XXKYBVZDAKQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O.C41H27N3O.Pd/c2*1-28-35(31-19-17-30(18-20-31)29-10-3-2-4-11-29)23-25-43-41(28)32-12-9-13-33(26-32)45-34-21-22-37-36-14-5-6-15-38(36)44(39(37)27-34)40-16-7-8-24-42-40;/h2-27H,1H3;2-25H,1H3;/q;-2;+2.
What are the key properties of 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+)?
2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) has a molecular weight of 1263.81 g/mol, XLogP of 20.95, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-[3-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole;palladium(2+) is sourced from PubChem (CID 157172422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).