5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

C62H40N6O4 — CID 134191469

IUPAC5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1
InChIInChI=1S/C62H40N6O4/c69-61(70)56-31-27-43(36-64-56)50-18-8-11-21-53(50)47-33-46(34-48(35-47)54-22-12-9-19-51(54)44-28-32-57(62(71)72)65-37-44)52-20-10-7-17-49(52)39-23-25-40(26-24-39)55-30-29-45(38-63-55)60-67-58(41-13-3-1-4-14-41)66-59(68-60)42-15-5-2-6-16-42/h1-38H,(H,69,70)(H,71,72)
InChIKeyUNPIIXIRPKOXAR-UHFFFAOYSA-N
MW933.04 g/mol
LogP14.12
Rot. Bonds12

About 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid

5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 134191469) has the molecular formula C62H40N6O4 and a molecular weight of 933.04 g/mol. Its IUPAC name is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
PubChem CID134191469
Molecular FormulaC62H40N6O4
Molecular Weight933.04 g/mol
Exact Mass932.31
IUPAC Name5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1
InChIInChI=1S/C62H40N6O4/c69-61(70)56-31-27-43(36-64-56)50-18-8-11-21-53(50)47-33-46(34-48(35-47)54-22-12-9-19-51(54)44-28-32-57(62(71)72)65-37-44)52-20-10-7-17-49(52)39-23-25-40(26-24-39)55-30-29-45(38-63-55)60-67-58(41-13-3-1-4-14-41)66-59(68-60)42-15-5-2-6-16-42/h1-38H,(H,69,70)(H,71,72)
InChIKeyUNPIIXIRPKOXAR-UHFFFAOYSA-N
XLogP14.12
TPSA151.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.04
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid (CID 134191469) is 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)cc3)cc(-c3ccccc3-c3ccc(C(=O)O)nc3)c2)cn1.
What is the InChIKey of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is UNPIIXIRPKOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6O4/c69-61(70)56-31-27-43(36-64-56)50-18-8-11-21-53(50)47-33-46(34-48(35-47)54-22-12-9-19-51(54)44-28-32-57(62(71)72)65-37-44)52-20-10-7-17-49(52)39-23-25-40(26-24-39)55-30-29-45(38-63-55)60-67-58(41-13-3-1-4-14-41)66-59(68-60)42-15-5-2-6-16-42/h1-38H,(H,69,70)(H,71,72).
What are the key properties of 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid?
5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 933.04 g/mol, XLogP of 14.12, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(6-carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134191469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).