3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline

C46H28N8O — CID 141223359

IUPAC3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline
SMILESc1ccc2nnc(-c3c(-c4n[nH]c5ccccc45)c4ccc(-c5cc6ccccc6[nH]5)c(-c5nc6ccccc6[nH]5)n4c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C46H28N8O/c1-5-15-31-26(11-1)23-36(47-31)30-21-22-38-42(43-29-14-4-7-17-33(29)51-53-43)41(37-24-27-12-2-6-16-32(27)50-52-37)45(40-25-28-13-3-10-20-39(28)55-40)54(38)44(30)46-48-34-18-8-9-19-35(34)49-46/h1-25,47H,(H,48,49)(H,51,53)
InChIKeyLOABJXWBRGCVRC-UHFFFAOYSA-N
MW708.79 g/mol
LogP11.20
Rot. Bonds5

About 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline

3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline (PubChem CID 141223359) has the molecular formula C46H28N8O and a molecular weight of 708.79 g/mol. Its IUPAC name is 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline.

Molecular Properties

Compound Name3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline
PubChem CID141223359
Molecular FormulaC46H28N8O
Molecular Weight708.79 g/mol
Exact Mass708.24
IUPAC Name3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline
SMILESc1ccc2nnc(-c3c(-c4n[nH]c5ccccc45)c4ccc(-c5cc6ccccc6[nH]5)c(-c5nc6ccccc6[nH]5)n4c3-c3cc4ccccc4o3)cc2c1
InChIInChI=1S/C46H28N8O/c1-5-15-31-26(11-1)23-36(47-31)30-21-22-38-42(43-29-14-4-7-17-33(29)51-53-43)41(37-24-27-12-2-6-16-32(27)50-52-37)45(40-25-28-13-3-10-20-39(28)55-40)54(38)44(30)46-48-34-18-8-9-19-35(34)49-46/h1-25,47H,(H,48,49)(H,51,53)
InChIKeyLOABJXWBRGCVRC-UHFFFAOYSA-N
XLogP11.20
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.79
LogP ≤ 511.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
CID 2110554
6-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 5222991
(E)-1-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]prop-2-en-1-one
CID 175678372
1-[5-(1H-benzimidazol-2-yl)-3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-3,4-dihydropyrazol-2-yl]ethanone
CID 175678407
2-[5-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-4,5-dihydro-1H-pyrazol-3-yl]-1H-benzimidazole
CID 176489715
4,12-bis[3-[8-(1H-benzimidazol-2-yl)dibenzofuran-2-yl]carbazol-9-yl]-8-phenyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58501557
6-[4-[4-(1-Phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[3,5-Bis[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129087730
6-[3,5-Bis[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129087732
6-[3,5-Bis[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129087734
6-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-5-[4-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129087736
18-(4-Phenylquinazolin-2-yl)-21-oxa-2,9,18-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),3,5,7,9,11(19),12,14,16,22,24,26-dodecaene
CID 129128007

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline?
The IUPAC name of 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline (CID 141223359) is 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline.
What is the SMILES notation for 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline?
The canonical SMILES for 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline is c1ccc2nnc(-c3c(-c4n[nH]c5ccccc45)c4ccc(-c5cc6ccccc6[nH]5)c(-c5nc6ccccc6[nH]5)n4c3-c3cc4ccccc4o3)cc2c1.
What is the InChIKey of 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline?
The InChIKey is LOABJXWBRGCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N8O/c1-5-15-31-26(11-1)23-36(47-31)30-21-22-38-42(43-29-14-4-7-17-33(29)51-53-43)41(37-24-27-12-2-6-16-32(27)50-52-37)45(40-25-28-13-3-10-20-39(28)55-40)54(38)44(30)46-48-34-18-8-9-19-35(34)49-46/h1-25,47H,(H,48,49)(H,51,53).
What are the key properties of 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline?
3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline has a molecular weight of 708.79 g/mol, XLogP of 11.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-benzimidazol-2-yl)-3-(1-benzofuran-2-yl)-1-(1H-indazol-3-yl)-6-(1H-indol-2-yl)indolizin-2-yl]cinnoline is sourced from PubChem (CID 141223359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).