2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene

C35H25N4- — CID 144734558

About 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene

2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene (PubChem CID 144734558) has the molecular formula C35H25N4- and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene.

Molecular Properties

• Compound Name: 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene
• PubChem CID: 144734558
• Molecular Formula: C35H25N4-
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.21
• IUPAC Name: 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene
• SMILES: Cc1ccc(-c2cccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)[N-]3)c2)cn1
• InChI: InChI=1S/C35H25N4/c1-23-13-14-32(22-36-23)28-11-6-12-29(21-28)33-37-34(30-17-15-24-7-2-4-9-26(24)19-30)39-35(38-33)31-18-16-25-8-3-5-10-27(25)20-31/h2-22,34H,1H3/q-1
• InChIKey: QBJHILYHBJKXBS-UHFFFAOYSA-N
• XLogP: 8.64
• TPSA: 51.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	8.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene?

The IUPAC name of 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene (CID 144734558) is 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene.

What is the SMILES notation for 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene?

The canonical SMILES for 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene is Cc1ccc(-c2cccc(C3=NC(c4ccc5ccccc5c4)=NC(c4ccc5ccccc5c4)[N-]3)c2)cn1.

What is the InChIKey of 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene?

The InChIKey is QBJHILYHBJKXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N4/c1-23-13-14-32(22-36-23)28-11-6-12-29(21-28)33-37-34(30-17-15-24-7-2-4-9-26(24)19-30)39-35(38-33)31-18-16-25-8-3-5-10-27(25)20-31/h2-22,34H,1H3/q-1.

What are the key properties of 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene?

2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene has a molecular weight of 501.61 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6-methyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-2-yl-1,5-diaza-3-azanidacyclohexa-1,5-diene is sourced from PubChem (CID 144734558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).