5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole

C36H20I2N4 — CID 3106828

IUPAC5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
SMILESIc1ccc2c3ccccc3c3[nH]c(-c4cccc(-c5nc6c7cc(I)ccc7c7ccccc7c6[nH]5)c4)nc3c2c1
InChIInChI=1S/C36H20I2N4/c37-21-12-14-25-23-8-1-3-10-27(23)31-33(29(25)17-21)41-35(39-31)19-6-5-7-20(16-19)36-40-32-28-11-4-2-9-24(28)26-15-13-22(38)18-30(26)34(32)42-36/h1-18H,(H,39,41)(H,40,42)
InChIKeyZPDPCDGPXRTZHV-UHFFFAOYSA-N
MW762.39 g/mol
LogP10.60
Rot. Bonds2

About 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole

5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole (PubChem CID 3106828) has the molecular formula C36H20I2N4 and a molecular weight of 762.39 g/mol. Its IUPAC name is 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
PubChem CID3106828
Molecular FormulaC36H20I2N4
Molecular Weight762.39 g/mol
Exact Mass761.98
IUPAC Name5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
SMILESIc1ccc2c3ccccc3c3[nH]c(-c4cccc(-c5nc6c7cc(I)ccc7c7ccccc7c6[nH]5)c4)nc3c2c1
InChIInChI=1S/C36H20I2N4/c37-21-12-14-25-23-8-1-3-10-27(23)31-33(29(25)17-21)41-35(39-31)19-6-5-7-20(16-19)36-40-32-28-11-4-2-9-24(28)26-15-13-22(38)18-30(26)34(32)42-36/h1-18H,(H,39,41)(H,40,42)
InChIKeyZPDPCDGPXRTZHV-UHFFFAOYSA-N
XLogP10.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.39
LogP ≤ 510.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
5,10-diiodo-2-(3-nitrophenyl)-1H-phenanthro[9,10-d]imidazole
CID 3106584
4-(5,10-diiodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol
CID 2846971
CID 89277682
CID 89277682
2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
CID 102489303
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882240
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
CID 67635510
2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 175345499
2-(4-aminophenyl)-1H-phenanthro[9,10-d]imidazole-5,10-diamine
CID 162720673

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole (CID 3106828) is 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole is Ic1ccc2c3ccccc3c3[nH]c(-c4cccc(-c5nc6c7cc(I)ccc7c7ccccc7c6[nH]5)c4)nc3c2c1.
What is the InChIKey of 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole?
The InChIKey is ZPDPCDGPXRTZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20I2N4/c37-21-12-14-25-23-8-1-3-10-27(23)31-33(29(25)17-21)41-35(39-31)19-6-5-7-20(16-19)36-40-32-28-11-4-2-9-24(28)26-15-13-22(38)18-30(26)34(32)42-36/h1-18H,(H,39,41)(H,40,42).
What are the key properties of 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole?
5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole has a molecular weight of 762.39 g/mol, XLogP of 10.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 3106828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).