8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C54H32N10O4 — CID 118245955

IUPAC8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c(-c3ccc4c(n3)c3nc(Oc5cc6cc7oc(Oc8ccc9c(c8)c8ccncc8n9-c8ccncc8)cc7cc6o5)ccc3n4-c3ccccc3)ccc2-n2nccn2)cc1
InChIInChI=1S/C54H32N10O4/c1-3-7-35(8-4-1)62-44-14-12-41(43-16-18-50(64-57-25-26-58-64)63(43)36-9-5-2-6-10-36)59-53(44)54-45(62)15-17-49(60-54)68-52-30-34-28-47-33(27-48(34)67-52)29-51(66-47)65-38-11-13-42-40(31-38)39-21-24-56-32-46(39)61(42)37-19-22-55-23-20-37/h1-32H
InChIKeyHJTFVZTXZUZIHP-UHFFFAOYSA-N
MW884.92 g/mol
LogP12.58
Rot. Bonds9

About 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 118245955) has the molecular formula C54H32N10O4 and a molecular weight of 884.92 g/mol. Its IUPAC name is 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID118245955
Molecular FormulaC54H32N10O4
Molecular Weight884.92 g/mol
Exact Mass884.26
IUPAC Name8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-n2c(-c3ccc4c(n3)c3nc(Oc5cc6cc7oc(Oc8ccc9c(c8)c8ccncc8n9-c8ccncc8)cc7cc6o5)ccc3n4-c3ccccc3)ccc2-n2nccn2)cc1
InChIInChI=1S/C54H32N10O4/c1-3-7-35(8-4-1)62-44-14-12-41(43-16-18-50(64-57-25-26-58-64)63(43)36-9-5-2-6-10-36)59-53(44)54-45(62)15-17-49(60-54)68-52-30-34-28-47-33(27-48(34)67-52)29-51(66-47)65-38-11-13-42-40(31-38)39-21-24-56-32-46(39)61(42)37-19-22-55-23-20-37/h1-32H
InChIKeyHJTFVZTXZUZIHP-UHFFFAOYSA-N
XLogP12.58
TPSA141.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.92
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 118245955) is 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-n2c(-c3ccc4c(n3)c3nc(Oc5cc6cc7oc(Oc8ccc9c(c8)c8ccncc8n9-c8ccncc8)cc7cc6o5)ccc3n4-c3ccccc3)ccc2-n2nccn2)cc1.
What is the InChIKey of 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is HJTFVZTXZUZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N10O4/c1-3-7-35(8-4-1)62-44-14-12-41(43-16-18-50(64-57-25-26-58-64)63(43)36-9-5-2-6-10-36)59-53(44)54-45(62)15-17-49(60-54)68-52-30-34-28-47-33(27-48(34)67-52)29-51(66-47)65-38-11-13-42-40(31-38)39-21-24-56-32-46(39)61(42)37-19-22-55-23-20-37/h1-32H.
What are the key properties of 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 884.92 g/mol, XLogP of 12.58, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4-[1-phenyl-5-(triazol-2-yl)pyrrol-2-yl]-12-[6-(9-pyridin-4-ylpyrido[3,4-b]indol-6-yl)oxyfuro[2,3-f][1]benzofuran-2-yl]oxy-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 118245955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).