15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C50H26N4O3 — CID 142336454

IUPAC15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2cc(-c4ccnc5c4oc4cc6ccccc6cc45)nc(-c4ccnc5c4oc4cc6ccccc6cc45)c2)ccnc13
InChIInChI=1S/C50H26N4O3/c1-4-10-30-24-42-37(19-27(30)7-1)45-48(55-42)34(13-16-51-45)33-22-40(35-14-17-52-46-38-20-28-8-2-5-11-31(28)25-43(38)56-49(35)46)54-41(23-33)36-15-18-53-47-39-21-29-9-3-6-12-32(29)26-44(39)57-50(36)47/h1-26H
InChIKeyYIMUQDPLTKVHCC-UHFFFAOYSA-N
MW730.78 g/mol
LogP13.43
Rot. Bonds3

About 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 142336454) has the molecular formula C50H26N4O3 and a molecular weight of 730.78 g/mol. Its IUPAC name is 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID142336454
Molecular FormulaC50H26N4O3
Molecular Weight730.78 g/mol
Exact Mass730.20
IUPAC Name15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc2cc3c(cc2c1)oc1c(-c2cc(-c4ccnc5c4oc4cc6ccccc6cc45)nc(-c4ccnc5c4oc4cc6ccccc6cc45)c2)ccnc13
InChIInChI=1S/C50H26N4O3/c1-4-10-30-24-42-37(19-27(30)7-1)45-48(55-42)34(13-16-51-45)33-22-40(35-14-17-52-46-38-20-28-8-2-5-11-31(28)25-43(38)56-49(35)46)54-41(23-33)36-15-18-53-47-39-21-29-9-3-6-12-32(29)26-44(39)57-50(36)47/h1-26H
InChIKeyYIMUQDPLTKVHCC-UHFFFAOYSA-N
XLogP13.43
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.78
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

4-[2,6-bis(8-phenyl-[1]benzofuro[3,2-b]pyridin-4-yl)-4-pyridinyl]-8-phenyl-[1]benzofuro[3,2-b]pyridine
CID 142336373
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-pyridin-4-ylphenyl]-8-pyridin-4-yl-[1]benzofuro[3,2-b]pyridine
CID 142336447
4-(13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaen-16-yl)-2-phenylpyridine
CID 164802921
8-([1]benzofuro[3,2-b]pyridin-2-yl)-4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 153311745
8-(6-pyridin-2-yl-3-pyridinyl)-4-[4-[8-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336319
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-pyridin-4-yl-8-[3-(4-pyridin-4-yl-[1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336465

Frequently Asked Questions

What is the IUPAC name of 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 142336454) is 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc2cc3c(cc2c1)oc1c(-c2cc(-c4ccnc5c4oc4cc6ccccc6cc45)nc(-c4ccnc5c4oc4cc6ccccc6cc45)c2)ccnc13.
What is the InChIKey of 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is YIMUQDPLTKVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O3/c1-4-10-30-24-42-37(19-27(30)7-1)45-48(55-42)34(13-16-51-45)33-22-40(35-14-17-52-46-38-20-28-8-2-5-11-31(28)25-43(38)56-49(35)46)54-41(23-33)36-15-18-53-47-39-21-29-9-3-6-12-32(29)26-44(39)57-50(36)47/h1-26H.
What are the key properties of 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 730.78 g/mol, XLogP of 13.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2,6-bis(17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-15-yl)-4-pyridinyl]-17-oxa-12-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 142336454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).