1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

C63H42N6O6 — CID 140904621

IUPAC1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)c1)c1ccc(-c2cccc3c2oc2ccccc23)nc1
InChIInChI=1S/C63H42N6O6/c1-67(40-25-28-52(64-34-40)49-19-10-16-46-43-13-4-7-22-55(43)73-58(46)49)61(70)37-31-38(62(71)68(2)41-26-29-53(65-35-41)50-20-11-17-47-44-14-5-8-23-56(44)74-59(47)50)33-39(32-37)63(72)69(3)42-27-30-54(66-36-42)51-21-12-18-48-45-15-6-9-24-57(45)75-60(48)51/h4-36H,1-3H3
InChIKeyYECMGIJSLTVNER-UHFFFAOYSA-N
MW979.07 g/mol
LogP14.40
Rot. Bonds9

About 1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (PubChem CID 140904621) has the molecular formula C63H42N6O6 and a molecular weight of 979.07 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(6-dibenzofuran-4-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-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
PubChem CID140904621
Molecular FormulaC63H42N6O6
Molecular Weight979.07 g/mol
Exact Mass978.32
IUPAC Name1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)c1)c1ccc(-c2cccc3c2oc2ccccc23)nc1
InChIInChI=1S/C63H42N6O6/c1-67(40-25-28-52(64-34-40)49-19-10-16-46-43-13-4-7-22-55(43)73-58(46)49)61(70)37-31-38(62(71)68(2)41-26-29-53(65-35-41)50-20-11-17-47-44-14-5-8-23-56(44)74-59(47)50)33-39(32-37)63(72)69(3)42-27-30-54(66-36-42)51-21-12-18-48-45-15-6-9-24-57(45)75-60(48)51/h4-36H,1-3H3
InChIKeyYECMGIJSLTVNER-UHFFFAOYSA-N
XLogP14.40
TPSA139.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.07
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-N,3-N,5-N-tris(6-dibenzofuran-4-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-([1]benzofuro[2,3-b]pyridin-2-yl)-3-pyridinyl]-1-N,3-N-dimethylbenzene-1,3,5-tricarboxamide
CID 140904517
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
5-tert-butyl-2-dibenzofuran-4-ylpyridine
CID 176637514
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
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
2-dibenzofuran-4-ylpyridine
CID 59500175
2-dibenzofuran-4-yl-5-(2-methyl-1-benzofuran-3-yl)pyridine
CID 171576904
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
2-dibenzofuran-4-yl-5-(4-fluorophenyl)pyridine
CID 166564112
6-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121299023
N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(6-dibenzofuran-4-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-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (CID 140904621) is 1-N,3-N,5-N-tris(6-dibenzofuran-4-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-dibenzofuran-4-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-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)cc(C(=O)N(C)c2ccc(-c3cccc4c3oc3ccccc34)nc2)c1)c1ccc(-c2cccc3c2oc2ccccc23)nc1.
What is the InChIKey of 1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The InChIKey is YECMGIJSLTVNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6O6/c1-67(40-25-28-52(64-34-40)49-19-10-16-46-43-13-4-7-22-55(43)73-58(46)49)61(70)37-31-38(62(71)68(2)41-26-29-53(65-35-41)50-20-11-17-47-44-14-5-8-23-56(44)74-59(47)50)33-39(32-37)63(72)69(3)42-27-30-54(66-36-42)51-21-12-18-48-45-15-6-9-24-57(45)75-60(48)51/h4-36H,1-3H3.
What are the key properties of 1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide has a molecular weight of 979.07 g/mol, XLogP of 14.40, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(6-dibenzofuran-4-yl-3-pyridinyl)-1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 140904621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).