1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide

C60H42N6O3 — CID 126639013

IUPAC1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)c1
InChIInChI=1S/C60H42N6O3/c67-58(64-52-22-16-43(17-23-52)55-37-46(28-31-61-55)40-10-4-1-5-11-40)49-34-50(59(68)65-53-24-18-44(19-25-53)56-38-47(29-32-62-56)41-12-6-2-7-13-41)36-51(35-49)60(69)66-54-26-20-45(21-27-54)57-39-48(30-33-63-57)42-14-8-3-9-15-42/h1-39H,(H,64,67)(H,65,68)(H,66,69)
InChIKeyAWWNRWFRYUJDAV-UHFFFAOYSA-N
MW895.04 g/mol
LogP13.63
Rot. Bonds12

About 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide (PubChem CID 126639013) has the molecular formula C60H42N6O3 and a molecular weight of 895.04 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
PubChem CID126639013
Molecular FormulaC60H42N6O3
Molecular Weight895.04 g/mol
Exact Mass894.33
IUPAC Name1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)c1
InChIInChI=1S/C60H42N6O3/c67-58(64-52-22-16-43(17-23-52)55-37-46(28-31-61-55)40-10-4-1-5-11-40)49-34-50(59(68)65-53-24-18-44(19-25-53)56-38-47(29-32-62-56)41-12-6-2-7-13-41)36-51(35-49)60(69)66-54-26-20-45(21-27-54)57-39-48(30-33-63-57)42-14-8-3-9-15-42/h1-39H,(H,64,67)(H,65,68)(H,66,69)
InChIKeyAWWNRWFRYUJDAV-UHFFFAOYSA-N
XLogP13.63
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.04
LogP ≤ 513.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(4-phenyl-2-pyridinyl)phenyl]benzamide
CID 53484000
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
1-N,3-N-bis[4-(4-phenyl-2-pyridinyl)phenyl]-5-[2-[4-(4-phenyl-2-pyridinyl)phenyl]acetyl]cyclohexane-1,3-dicarboxamide
CID 161288040
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide (CID 126639013) is 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide is O=C(Nc1ccc(-c2cc(-c3ccccc3)ccn2)cc1)c1cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)cc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)ccn3)cc2)c1.
What is the InChIKey of 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide?
The InChIKey is AWWNRWFRYUJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N6O3/c67-58(64-52-22-16-43(17-23-52)55-37-46(28-31-61-55)40-10-4-1-5-11-40)49-34-50(59(68)65-53-24-18-44(19-25-53)56-38-47(29-32-62-56)41-12-6-2-7-13-41)36-51(35-49)60(69)66-54-26-20-45(21-27-54)57-39-48(30-33-63-57)42-14-8-3-9-15-42/h1-39H,(H,64,67)(H,65,68)(H,66,69).
What are the key properties of 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide has a molecular weight of 895.04 g/mol, XLogP of 13.63, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 126639013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).