8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine

C81H58N6O5 — CID 118927455

IUPAC8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCOCC(C)OCC(C)Oc1cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1
InChIInChI=1S/C81H58N6O5/c1-49(47-88-3)89-48-50(2)90-59-43-55(68-32-36-72-74(84-68)66-45-57(30-34-70(66)91-72)86-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(86)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-33-37-73-75(85-69)67-46-58(31-35-71(67)92-73)87-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(87)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50H,47-48H2,1-3H3
InChIKeyXORRDWWYXUSUDQ-UHFFFAOYSA-N
MW1195.39 g/mol
LogP20.08
Rot. Bonds15

About 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine

8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 118927455) has the molecular formula C81H58N6O5 and a molecular weight of 1195.39 g/mol. Its IUPAC name is 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID118927455
Molecular FormulaC81H58N6O5
Molecular Weight1195.39 g/mol
Exact Mass1194.45
IUPAC Name8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCOCC(C)OCC(C)Oc1cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1
InChIInChI=1S/C81H58N6O5/c1-49(47-88-3)89-48-50(2)90-59-43-55(68-32-36-72-74(84-68)66-45-57(30-34-70(66)91-72)86-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(86)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-33-37-73-75(85-69)67-46-58(31-35-71(67)92-73)87-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(87)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50H,47-48H2,1-3H3
InChIKeyXORRDWWYXUSUDQ-UHFFFAOYSA-N
XLogP20.08
TPSA115.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001195.39
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 118927455) is 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is COCC(C)OCC(C)Oc1cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1.
What is the InChIKey of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XORRDWWYXUSUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H58N6O5/c1-49(47-88-3)89-48-50(2)90-59-43-55(68-32-36-72-74(84-68)66-45-57(30-34-70(66)91-72)86-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(86)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-33-37-73-75(85-69)67-46-58(31-35-71(67)92-73)87-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(87)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50H,47-48H2,1-3H3.
What are the key properties of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1195.39 g/mol, XLogP of 20.08, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridin-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118927455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).