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

C82H62N6O5 — CID 134565880

IUPAC8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESC=C(/C=C\c1oc2ccc(-c3cc(OC(C)COC(C)COC)cc(-c4ccc5oc6ccc(-n7c8c(-c9ccccc9)cccc8c8nccc(-c9ccccc9)c87)cc6c5n4)c3)nc2c1C)n1c2c(-c3ccccc3)cccc2c2nccc(-c3ccccc3)c21
InChIInChI=1S/C82H62N6O5/c1-50(87-79-62(54-20-10-6-11-21-54)28-18-30-66(79)77-81(87)64(40-42-83-77)56-24-14-8-15-25-56)32-36-71-53(4)75-73(92-71)38-34-69(85-75)58-44-59(46-61(45-58)91-52(3)49-90-51(2)48-89-5)70-35-39-74-76(86-70)68-47-60(33-37-72(68)93-74)88-80-63(55-22-12-7-13-23-55)29-19-31-67(80)78-82(88)65(41-43-84-78)57-26-16-9-17-27-57/h6-47,51-52H,1,48-49H2,2-5H3/b36-32-
InChIKeyYMLCWXINKDNSNM-HIELXXDYSA-N
MW1211.43 g/mol
LogP20.43
Rot. Bonds17

About 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 134565880) has the molecular formula C82H62N6O5 and a molecular weight of 1211.43 g/mol. Its IUPAC name is 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID134565880
Molecular FormulaC82H62N6O5
Molecular Weight1211.43 g/mol
Exact Mass1210.48
IUPAC Name8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESC=C(/C=C\c1oc2ccc(-c3cc(OC(C)COC(C)COC)cc(-c4ccc5oc6ccc(-n7c8c(-c9ccccc9)cccc8c8nccc(-c9ccccc9)c87)cc6c5n4)c3)nc2c1C)n1c2c(-c3ccccc3)cccc2c2nccc(-c3ccccc3)c21
InChIInChI=1S/C82H62N6O5/c1-50(87-79-62(54-20-10-6-11-21-54)28-18-30-66(79)77-81(87)64(40-42-83-77)56-24-14-8-15-25-56)32-36-71-53(4)75-73(92-71)38-34-69(85-75)58-44-59(46-61(45-58)91-52(3)49-90-51(2)48-89-5)70-35-39-74-76(86-70)68-47-60(33-37-72(68)93-74)88-80-63(55-22-12-7-13-23-55)29-19-31-67(80)78-82(88)65(41-43-84-78)57-26-16-9-17-27-57/h6-47,51-52H,1,48-49H2,2-5H3/b36-32-
InChIKeyYMLCWXINKDNSNM-HIELXXDYSA-N
XLogP20.43
TPSA115.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.43
LogP ≤ 520.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 134565880) is 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is C=C(/C=C\c1oc2ccc(-c3cc(OC(C)COC(C)COC)cc(-c4ccc5oc6ccc(-n7c8c(-c9ccccc9)cccc8c8nccc(-c9ccccc9)c87)cc6c5n4)c3)nc2c1C)n1c2c(-c3ccccc3)cccc2c2nccc(-c3ccccc3)c21.
What is the InChIKey of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is YMLCWXINKDNSNM-HIELXXDYSA-N. The full InChI is InChI=1S/C82H62N6O5/c1-50(87-79-62(54-20-10-6-11-21-54)28-18-30-66(79)77-81(87)64(40-42-83-77)56-24-14-8-15-25-56)32-36-71-53(4)75-73(92-71)38-34-69(85-75)58-44-59(46-61(45-58)91-52(3)49-90-51(2)48-89-5)70-35-39-74-76(86-70)68-47-60(33-37-72(68)93-74)88-80-63(55-22-12-7-13-23-55)29-19-31-67(80)78-82(88)65(41-43-84-78)57-26-16-9-17-27-57/h6-47,51-52H,1,48-49H2,2-5H3/b36-32-.
What are the key properties of 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1211.43 g/mol, XLogP of 20.43, 17 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-[2-[(1Z)-3-(4,6-diphenylpyrido[3,2-b]indol-5-yl)buta-1,3-dienyl]-3-methylfuro[3,2-b]pyridin-5-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 134565880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).