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+)

C34H20N4Pt — CID 165164239

IUPAC10-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+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5[c-]cccc5)c4nc32)n1
InChIInChI=1S/C34H20N4.Pt/c1-3-12-23(13-4-1)29-18-11-21-32(35-29)38-31-20-10-8-17-26(31)28-22-27-25-16-7-9-19-30(25)37(33(27)36-34(28)38)24-14-5-2-6-15-24;/h1-12,14,16-22H;/q-2;+2
InChIKeyYAHNKGXBAWSSPJ-UHFFFAOYSA-N
MW679.64 g/mol
LogP7.94
Rot. Bonds3

About 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+)

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+) (PubChem CID 165164239) has the molecular formula C34H20N4Pt and a molecular weight of 679.64 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name10-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+)
PubChem CID165164239
Molecular FormulaC34H20N4Pt
Molecular Weight679.64 g/mol
Exact Mass679.13
IUPAC Name10-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+)
SMILES[Pt+2].[c-]1ccccc1-c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5[c-]cccc5)c4nc32)n1
InChIInChI=1S/C34H20N4.Pt/c1-3-12-23(13-4-1)29-18-11-21-32(35-29)38-31-20-10-8-17-26(31)28-22-27-25-16-7-9-19-30(25)37(33(27)36-34(28)38)24-14-5-2-6-15-24;/h1-12,14,16-22H;/q-2;+2
InChIKeyYAHNKGXBAWSSPJ-UHFFFAOYSA-N
XLogP7.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.64
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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Related Compounds

10-(4-tert-butyl-6-phenyl-2-pyridinyl)-6,18-dimethyl-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;platinum(2+)
CID 165164185
1-methyl-2-phenyl-9-(6-phenyl-2-pyridinyl)pyrido[2,3-b]indol-1-ium;platinum(2+)
CID 168743670
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
9-phenyl-2-[5-phenyl-3-(8-phenyl-3H-naphthalen-3-id-2-yl)isoquinolin-1-yl]pyrido[2,3-b]indole;platinum(2+)
CID 171043699
5,7-bis[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-b]carbazole
CID 58570110
10-[3-[3-(4-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
CID 165164155
10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
CID 165164157
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
2-tert-butyl-10-[3-(2-methylphenyl)benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum(2+)
CID 165164268
CID 160989478
CID 160989478
CID 171043677
CID 171043677

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is [Pt+2].[c-]1ccccc1-c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5[c-]cccc5)c4nc32)n1.
What is the InChIKey of 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+)?
The InChIKey is YAHNKGXBAWSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4.Pt/c1-3-12-23(13-4-1)29-18-11-21-32(35-29)38-31-20-10-8-17-26(31)28-22-27-25-16-7-9-19-30(25)37(33(27)36-34(28)38)24-14-5-2-6-15-24;/h1-12,14,16-22H;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 679.64 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 165164239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).