N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine

C44H32N6 — CID 123395445

About N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine

N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine (PubChem CID 123395445) has the molecular formula C44H32N6 and a molecular weight of 644.78 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine
• PubChem CID: 123395445
• Molecular Formula: C44H32N6
• Molecular Weight: 644.78 g/mol
• Exact Mass: 644.27
• IUPAC Name: N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine
• SMILES: C1=NC(c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)CN=C1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C44H32N6/c1-3-14-34(15-4-1)49(42-21-11-13-31-12-7-8-18-37(31)42)36-25-22-32(23-26-36)40-29-47-41(30-46-40)33-24-27-39(45-28-33)44-48-38-19-9-10-20-43(38)50(44)35-16-5-2-6-17-35/h1-29,41H,30H2
• InChIKey: ZJBRIHWEGLDNDK-UHFFFAOYSA-N
• XLogP: 10.33
• TPSA: 58.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.78
LogP ≤ 5	10.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine?

The IUPAC name of N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine (CID 123395445) is N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine is C1=NC(c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)CN=C1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine?

The InChIKey is ZJBRIHWEGLDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N6/c1-3-14-34(15-4-1)49(42-21-11-13-31-12-7-8-18-37(31)42)36-25-22-32(23-26-36)40-29-47-41(30-46-40)33-24-27-39(45-28-33)44-48-38-19-9-10-20-43(38)50(44)35-16-5-2-6-17-35/h1-29,41H,30H2.

What are the key properties of N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine?

N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine has a molecular weight of 644.78 g/mol, XLogP of 10.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[2-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2,3-dihydropyrazin-5-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 123395445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).