2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

C34H18N8S2 — CID 71815682

IUPAC2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ccc(-c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)s4)s3)[nH]c1c1cccnc12
InChIInChI=1S/C34H18N8S2/c1-5-17-25(35-13-1)26-18(6-2-14-36-26)30-29(17)39-33(40-30)23-11-9-21(43-23)22-10-12-24(44-22)34-41-31-19-7-3-15-37-27(19)28-20(32(31)42-34)8-4-16-38-28/h1-16H,(H,39,40)(H,41,42)
InChIKeyIPILAUGTKXNBGM-UHFFFAOYSA-N
MW602.71 g/mol
LogP8.76
Rot. Bonds3

About 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline

2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 71815682) has the molecular formula C34H18N8S2 and a molecular weight of 602.71 g/mol. Its IUPAC name is 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID71815682
Molecular FormulaC34H18N8S2
Molecular Weight602.71 g/mol
Exact Mass602.11
IUPAC Name2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nc(-c3ccc(-c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)s4)s3)[nH]c1c1cccnc12
InChIInChI=1S/C34H18N8S2/c1-5-17-25(35-13-1)26-18(6-2-14-36-26)30-29(17)39-33(40-30)23-11-9-21(43-23)22-10-12-24(44-22)34-41-31-19-7-3-15-37-27(19)28-20(32(31)42-34)8-4-16-38-28/h1-16H,(H,39,40)(H,41,42)
InChIKeyIPILAUGTKXNBGM-UHFFFAOYSA-N
XLogP8.76
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.71
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline with MolForge

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Related Compounds

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Tld-1433
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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 71815682) is 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is c1cnc2c(c1)c1nc(-c3ccc(-c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)s4)s3)[nH]c1c1cccnc12.
What is the InChIKey of 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is IPILAUGTKXNBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N8S2/c1-5-17-25(35-13-1)26-18(6-2-14-36-26)30-29(17)39-33(40-30)23-11-9-21(43-23)22-10-12-24(44-22)34-41-31-19-7-3-15-37-27(19)28-20(32(31)42-34)8-4-16-38-28/h1-16H,(H,39,40)(H,41,42).
What are the key properties of 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline?
2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 602.71 g/mol, XLogP of 8.76, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)thiophen-2-yl]thiophen-2-yl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 71815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).