N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine

C44H36N6 — CID 123152798

About N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine

N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine (PubChem CID 123152798) has the molecular formula C44H36N6 and a molecular weight of 648.81 g/mol. Its IUPAC name is N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine
• PubChem CID: 123152798
• Molecular Formula: C44H36N6
• Molecular Weight: 648.81 g/mol
• Exact Mass: 648.30
• IUPAC Name: N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine
• SMILES: C1=C(N(c2ccccc2)c2cccc3ccccc23)CCC(c2cnc(-c3ccc(C4Nc5ccccc5N4c4ccccc4)nc3)cn2)C1
• InChI: InChI=1S/C44H36N6/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/h1-21,24-25,27-30,32,44,48H,22-23,26H2
• InChIKey: YHKOWVDVOYGDTA-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 57.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.81
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine (CID 123152798) is N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine.

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

The canonical SMILES for N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine is C1=C(N(c2ccccc2)c2cccc3ccccc23)CCC(c2cnc(-c3ccc(C4Nc5ccccc5N4c4ccccc4)nc3)cn2)C1.

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

The InChIKey is YHKOWVDVOYGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N6/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/h1-21,24-25,27-30,32,44,48H,22-23,26H2.

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

N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine has a molecular weight of 648.81 g/mol, XLogP of 10.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[5-[6-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-3-pyridinyl]pyrazin-2-yl]cyclohexen-1-yl]naphthalen-1-amine is sourced from PubChem (CID 123152798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).