N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

C64H38N8PtS2 — CID 140661718

IUPACN-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1cccc(-c2cc3sc(-c4ccc5c(c4)c4nc6ccccc6cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3s2)c1
InChIInChI=1S/C64H38N8S2.Pt/c1-3-16-41(17-4-1)62-68-63(42-18-5-2-6-19-42)70-64(69-62)72-55-31-30-47(37-51(55)61-56(72)38-45-20-7-8-29-54(45)67-61)58-40-60-59(74-58)39-57(73-60)46-23-15-26-50(36-46)71(48-24-13-21-43(34-48)52-27-9-11-32-65-52)49-25-14-22-44(35-49)53-28-10-12-33-66-53;/h1-33,36-40H;/q-2;+2
InChIKeyPDGYPFARDUGBGE-UHFFFAOYSA-N
MW1178.28 g/mol
LogP16.65
Rot. Bonds10

About N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)

N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 140661718) has the molecular formula C64H38N8PtS2 and a molecular weight of 1178.28 g/mol. Its IUPAC name is N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).

Molecular Properties

Compound NameN-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
PubChem CID140661718
Molecular FormulaC64H38N8PtS2
Molecular Weight1178.28 g/mol
Exact Mass1177.23
IUPAC NameN-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1cccc(-c2cc3sc(-c4ccc5c(c4)c4nc6ccccc6cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3s2)c1
InChIInChI=1S/C64H38N8S2.Pt/c1-3-16-41(17-4-1)62-68-63(42-18-5-2-6-19-42)70-64(69-62)72-55-31-30-47(37-51(55)61-56(72)38-45-20-7-8-29-54(45)67-61)58-40-60-59(74-58)39-57(73-60)46-23-15-26-50(36-46)71(48-24-13-21-43(34-48)52-27-9-11-32-65-52)49-25-14-22-44(35-49)53-28-10-12-33-66-53;/h1-33,36-40H;/q-2;+2
InChIKeyPDGYPFARDUGBGE-UHFFFAOYSA-N
XLogP16.65
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms75
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001178.28
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The IUPAC name of N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (CID 140661718) is N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).
What is the SMILES notation for N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The canonical SMILES for N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is [Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1cccc(-c2cc3sc(-c4ccc5c(c4)c4nc6ccccc6cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3s2)c1.
What is the InChIKey of N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
The InChIKey is PDGYPFARDUGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N8S2.Pt/c1-3-16-41(17-4-1)62-68-63(42-18-5-2-6-19-42)70-64(69-62)72-55-31-30-47(37-51(55)61-56(72)38-45-20-7-8-29-54(45)67-61)58-40-60-59(74-58)39-57(73-60)46-23-15-26-50(36-46)71(48-24-13-21-43(34-48)52-27-9-11-32-65-52)49-25-14-22-44(35-49)53-28-10-12-33-66-53;/h1-33,36-40H;/q-2;+2.
What are the key properties of N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)?
N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) has a molecular weight of 1178.28 g/mol, XLogP of 16.65, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) is sourced from PubChem (CID 140661718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).