1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)

C29H20N3Pt+ — CID 168743670

IUPAC1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
SMILESC[n+]1c(-c2[c-]cccc2)ccc2c3ccccc3n(-c3cccc(-c4[c-]cccc4)n3)c21.[Pt+2]
InChIInChI=1S/C29H20N3.Pt/c1-31-26(22-13-6-3-7-14-22)20-19-24-23-15-8-9-17-27(23)32(29(24)31)28-18-10-16-25(30-28)21-11-4-2-5-12-21;/h2-11,13,15-20H,1H3;/q-1;+2
InChIKeyJLAJADDGRKEMTP-UHFFFAOYSA-N
MW605.58 g/mol
LogP5.94
Rot. Bonds3

About 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)

1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+) (PubChem CID 168743670) has the molecular formula C29H20N3Pt+ and a molecular weight of 605.58 g/mol. Its IUPAC name is 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+).

Molecular Properties

Compound Name1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
PubChem CID168743670
Molecular FormulaC29H20N3Pt+
Molecular Weight605.58 g/mol
Exact Mass605.13
IUPAC Name1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
SMILESC[n+]1c(-c2[c-]cccc2)ccc2c3ccccc3n(-c3cccc(-c4[c-]cccc4)n3)c21.[Pt+2]
InChIInChI=1S/C29H20N3.Pt/c1-31-26(22-13-6-3-7-14-22)20-19-24-23-15-8-9-17-27(23)32(29(24)31)28-18-10-16-25(30-28)21-11-4-2-5-12-21;/h2-11,13,15-20H,1H3;/q-1;+2
InChIKeyJLAJADDGRKEMTP-UHFFFAOYSA-N
XLogP5.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.58
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

10-phenyl-14-(6-phenyl-2-pyridinyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;platinum(2+)
CID 165164239
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
12-(6-carbazol-9-yl-2-pyridinyl)-11-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 58038308
chloronickel;2,6-di(phenyl)pyridine
CID 153499161
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
CID 59480497
9-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-1,3,5-triazin-2-yl]carbazole
CID 165047384
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-[6-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-phenyl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbazole
CID 138513651
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)?
The IUPAC name of 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+) (CID 168743670) is 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+).
What is the SMILES notation for 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)?
The canonical SMILES for 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+) is C[n+]1c(-c2[c-]cccc2)ccc2c3ccccc3n(-c3cccc(-c4[c-]cccc4)n3)c21.[Pt+2].
What is the InChIKey of 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)?
The InChIKey is JLAJADDGRKEMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N3.Pt/c1-31-26(22-13-6-3-7-14-22)20-19-24-23-15-8-9-17-27(23)32(29(24)31)28-18-10-16-25(30-28)21-11-4-2-5-12-21;/h2-11,13,15-20H,1H3;/q-1;+2.
What are the key properties of 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)?
1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+) has a molecular weight of 605.58 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+) is sourced from PubChem (CID 168743670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).