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

C81H59N7O4 — CID 146246362

IUPAC8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCOCC(C)OCC(C)Oc1cc(-c2ccc3[nH]c4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1
InChIInChI=1S/C81H59N7O4/c1-49(47-89-3)90-48-50(2)91-59-43-55(68-33-34-71-74(85-68)66-45-57(30-32-70(66)84-71)87-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(87)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-35-37-73-75(86-69)67-46-58(31-36-72(67)92-73)88-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(88)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50,84H,47-48H2,1-3H3
InChIKeyGYANKCXGLHFSIO-UHFFFAOYSA-N
MW1194.41 g/mol
LogP19.82
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)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 146246362) has the molecular formula C81H59N7O4 and a molecular weight of 1194.41 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)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID146246362
Molecular FormulaC81H59N7O4
Molecular Weight1194.41 g/mol
Exact Mass1193.46
IUPAC Name8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESCOCC(C)OCC(C)Oc1cc(-c2ccc3[nH]c4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)cc(-c2ccc3oc4ccc(-n5c6c(-c7ccccc7)cccc6c6nccc(-c7ccccc7)c65)cc4c3n2)c1
InChIInChI=1S/C81H59N7O4/c1-49(47-89-3)90-48-50(2)91-59-43-55(68-33-34-71-74(85-68)66-45-57(30-32-70(66)84-71)87-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(87)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-35-37-73-75(86-69)67-46-58(31-36-72(67)92-73)88-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(88)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50,84H,47-48H2,1-3H3
InChIKeyGYANKCXGLHFSIO-UHFFFAOYSA-N
XLogP19.82
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001194.41
LogP ≤ 519.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

6-Fluoro-8-[8-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 144612650
CID 158849447
CID 158849447
8-[3-Fluoro-8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 144612645
8-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-(3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544050
6-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 57703089
4-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 57703100
8-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 57703103
4-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 57703119
8-(9H-3,9'-bicarbazol-9-yl)benzofuro[3,2-b]pyridine
CID 57703127
3-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 57703146
6-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 57703149
5-[3-(3-Carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57703161

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)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 146246362) is 8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-2-[3-[8-(4,6-diphenylpyrido[3,2-b]indol-5-yl)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is COCC(C)OCC(C)Oc1cc(-c2ccc3[nH]c4ccc(-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GYANKCXGLHFSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H59N7O4/c1-49(47-89-3)90-48-50(2)91-59-43-55(68-33-34-71-74(85-68)66-45-57(30-32-70(66)84-71)87-78-60(51-18-8-4-9-19-51)26-16-28-64(78)76-80(87)62(38-40-82-76)53-22-12-6-13-23-53)42-56(44-59)69-35-37-73-75(86-69)67-46-58(31-36-72(67)92-73)88-79-61(52-20-10-5-11-21-52)27-17-29-65(79)77-81(88)63(39-41-83-77)54-24-14-7-15-25-54/h4-46,49-50,84H,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)-5H-pyrido[3,2-b]indol-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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1194.41 g/mol, XLogP of 19.82, 15 rotatable bonds, 1 hydrogen bond donors, and 10 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)-5H-pyrido[3,2-b]indol-2-yl]-5-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 146246362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).