1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

C60H39N9O6 — CID 140904387

IUPAC1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)c1)c1ccc(-c2ccc3c(c2)oc2cnccc23)nc1
InChIInChI=1S/C60H39N9O6/c1-67(40-7-13-49(64-28-40)34-4-10-43-46-16-19-61-31-55(46)73-52(43)25-34)58(70)37-22-38(59(71)68(2)41-8-14-50(65-29-41)35-5-11-44-47-17-20-62-32-56(47)74-53(44)26-35)24-39(23-37)60(72)69(3)42-9-15-51(66-30-42)36-6-12-45-48-18-21-63-33-57(48)75-54(45)27-36/h4-33H,1-3H3
InChIKeyLJLYGWBCTWEVCU-UHFFFAOYSA-N
MW982.03 g/mol
LogP12.59
Rot. Bonds9

About 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (PubChem CID 140904387) has the molecular formula C60H39N9O6 and a molecular weight of 982.03 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
PubChem CID140904387
Molecular FormulaC60H39N9O6
Molecular Weight982.03 g/mol
Exact Mass981.30
IUPAC Name1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)c1)c1ccc(-c2ccc3c(c2)oc2cnccc23)nc1
InChIInChI=1S/C60H39N9O6/c1-67(40-7-13-49(64-28-40)34-4-10-43-46-16-19-61-31-55(46)73-52(43)25-34)58(70)37-22-38(59(71)68(2)41-8-14-50(65-29-41)35-5-11-44-47-17-20-62-32-56(47)74-53(44)26-35)24-39(23-37)60(72)69(3)42-9-15-51(66-30-42)36-6-12-45-48-18-21-63-33-57(48)75-54(45)27-36/h4-33H,1-3H3
InChIKeyLJLYGWBCTWEVCU-UHFFFAOYSA-N
XLogP12.59
TPSA177.69 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.03
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide with MolForge

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Related Compounds

1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 140904621
1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-b]pyridin-2-yl)-3-pyridinyl]-1-N,3-N-dimethylbenzene-1,3,5-tricarboxamide
CID 140904517
5-[2-[4-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]-1-N,3-N-dimethyl-1-N,3-N-bis(4-pyridin-2-ylphenyl)benzene-1,3-dicarboxamide
CID 153448968
6-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 90140834
6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
CID 90250427
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
CID 144553602
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
N-[4-(aminomethyl)phenyl]-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 166362090
CID 145132459
CID 145132459
3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076323
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (CID 140904387) is 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)cc(C(=O)N(C)c2ccc(-c3ccc4c(c3)oc3cnccc34)nc2)c1)c1ccc(-c2ccc3c(c2)oc2cnccc23)nc1.
What is the InChIKey of 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The InChIKey is LJLYGWBCTWEVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N9O6/c1-67(40-7-13-49(64-28-40)34-4-10-43-46-16-19-61-31-55(46)73-52(43)25-34)58(70)37-22-38(59(71)68(2)41-8-14-50(65-29-41)35-5-11-44-47-17-20-62-32-56(47)74-53(44)26-35)24-39(23-37)60(72)69(3)42-9-15-51(66-30-42)36-6-12-45-48-18-21-63-33-57(48)75-54(45)27-36/h4-33H,1-3H3.
What are the key properties of 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide has a molecular weight of 982.03 g/mol, XLogP of 12.59, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[6-([1]benzofuro[2,3-c]pyridin-7-yl)-3-pyridinyl]-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 140904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).