2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole

C40H24N6 — CID 102489303

IUPAC2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
SMILESc1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccnc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6[nH]5)ccn4)c3)nc21
InChIInChI=1S/C40H24N6/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)36-35(29)43-39(44-36)23-17-19-41-33(21-23)34-22-24(18-20-42-34)40-45-37-31-15-7-3-11-27(31)28-12-4-8-16-32(28)38(37)46-40/h1-22H,(H,43,44)(H,45,46)
InChIKeyCAOFZPFMMRLJGX-UHFFFAOYSA-N
MW588.67 g/mol
LogP9.84
Rot. Bonds3

About 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole

2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole (PubChem CID 102489303) has the molecular formula C40H24N6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
PubChem CID102489303
Molecular FormulaC40H24N6
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
SMILESc1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccnc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6[nH]5)ccn4)c3)nc21
InChIInChI=1S/C40H24N6/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)36-35(29)43-39(44-36)23-17-19-41-33(21-23)34-22-24(18-20-42-34)40-45-37-31-15-7-3-11-27(31)28-12-4-8-16-32(28)38(37)46-40/h1-22H,(H,43,44)(H,45,46)
InChIKeyCAOFZPFMMRLJGX-UHFFFAOYSA-N
XLogP9.84
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
CID 89277682
CID 89277682
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3106828
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 175345499
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile
CID 11602200
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole (CID 102489303) is 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole is c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccnc(-c4cc(-c5nc6c7ccccc7c7ccccc7c6[nH]5)ccn4)c3)nc21.
What is the InChIKey of 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole?
The InChIKey is CAOFZPFMMRLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6/c1-5-13-29-25(9-1)26-10-2-6-14-30(26)36-35(29)43-39(44-36)23-17-19-41-33(21-23)34-22-24(18-20-42-34)40-45-37-31-15-7-3-11-27(31)28-12-4-8-16-32(28)38(37)46-40/h1-22H,(H,43,44)(H,45,46).
What are the key properties of 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole?
2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole has a molecular weight of 588.67 g/mol, XLogP of 9.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 102489303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).