2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline

C50H29N7O2 — CID 141179419

IUPAC2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
SMILESc1ccc(-c2ccc3c(oc4c(-c5cccnn5)c(-c5cc6ccccc6[nH]5)c(-c5ccc6ccccc6n5)c(-c5cc6ccccc6o5)c43)c2-c2ncccn2)nc1
InChIInChI=1S/C50H29N7O2/c1-4-14-34-29(11-1)19-22-37(55-34)44-45(39-27-30-12-2-5-15-35(30)56-39)46(38-17-9-26-54-57-38)49-42(47(44)41-28-31-13-3-6-18-40(31)58-41)33-21-20-32(36-16-7-8-23-51-36)43(48(33)59-49)50-52-24-10-25-53-50/h1-28,56H
InChIKeyVNNHMLHHNNGGMR-UHFFFAOYSA-N
MW759.83 g/mol
LogP12.34
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline

2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline (PubChem CID 141179419) has the molecular formula C50H29N7O2 and a molecular weight of 759.83 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
PubChem CID141179419
Molecular FormulaC50H29N7O2
Molecular Weight759.83 g/mol
Exact Mass759.24
IUPAC Name2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
SMILESc1ccc(-c2ccc3c(oc4c(-c5cccnn5)c(-c5cc6ccccc6[nH]5)c(-c5ccc6ccccc6n5)c(-c5cc6ccccc6o5)c43)c2-c2ncccn2)nc1
InChIInChI=1S/C50H29N7O2/c1-4-14-34-29(11-1)19-22-37(55-34)44-45(39-27-30-12-2-5-15-35(30)56-39)46(38-17-9-26-54-57-38)49-42(47(44)41-28-31-13-3-6-18-40(31)58-41)33-21-20-32(36-16-7-8-23-51-36)43(48(33)59-49)50-52-24-10-25-53-50/h1-28,56H
InChIKeyVNNHMLHHNNGGMR-UHFFFAOYSA-N
XLogP12.34
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.83
LogP ≤ 512.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline with MolForge

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Launch Full Analysis

Related Compounds

3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
CID 140995717
2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
CID 141107881
2-(1,2,4-triazin-3-yl)-1H-indole
CID 150191533
2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
1H-imidazole;2-pyridin-2-yl-1H-indole
CID 174625400
4-[3-(1-benzofuran-2-yl)-8-quinolin-4-ylpyren-1-yl]quinoline
CID 59390459
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline (CID 141179419) is 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline is c1ccc(-c2ccc3c(oc4c(-c5cccnn5)c(-c5cc6ccccc6[nH]5)c(-c5ccc6ccccc6n5)c(-c5cc6ccccc6o5)c43)c2-c2ncccn2)nc1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline?
The InChIKey is VNNHMLHHNNGGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N7O2/c1-4-14-34-29(11-1)19-22-37(55-34)44-45(39-27-30-12-2-5-15-35(30)56-39)46(38-17-9-26-54-57-38)49-42(47(44)41-28-31-13-3-6-18-40(31)58-41)33-21-20-32(36-16-7-8-23-51-36)43(48(33)59-49)50-52-24-10-25-53-50/h1-28,56H.
What are the key properties of 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline?
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline has a molecular weight of 759.83 g/mol, XLogP of 12.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline is sourced from PubChem (CID 141179419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).