2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile

C105H63N9 — CID 157054121

About 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile

2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile (PubChem CID 157054121) has the molecular formula C105H63N9 and a molecular weight of 1450.72 g/mol. Its IUPAC name is 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile
• PubChem CID: 157054121
• Molecular Formula: C105H63N9
• Molecular Weight: 1450.72 g/mol
• Exact Mass: 1449.52
• IUPAC Name: 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3cc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)ccc3c2)cc1.N#Cc1ccc(-c2cccc3cc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)ccc23)cc1.[C-]#[N+]c1ccc(-c2ccc3ccc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)cc3c2)cc1
• InChI: InChI=1S/3C35H21N3/c1-36-31-16-13-23(14-17-31)25-11-9-24-10-12-26(21-30(24)20-25)27-15-18-32-28(19-27)6-4-7-33(32)35-37-22-29-5-2-3-8-34(29)38-35;36-21-23-11-13-24(14-12-23)30-8-3-6-27-19-25(15-17-31(27)30)26-16-18-32-28(20-26)7-4-9-33(32)35-37-22-29-5-1-2-10-34(29)38-35;36-21-23-8-10-24(11-9-23)25-12-13-27-19-28(15-14-26(27)18-25)29-16-17-32-30(20-29)5-3-6-33(32)35-37-22-31-4-1-2-7-34(31)38-35/h2-22H;2*1-20,22H
• InChIKey: AANWNRPHNABHHV-UHFFFAOYSA-N
• XLogP: 27.11
• TPSA: 129.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1450.72
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile?

The IUPAC name of 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile (CID 157054121) is 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile.

What is the SMILES notation for 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile?

The canonical SMILES for 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)ccc3c2)cc1.N#Cc1ccc(-c2cccc3cc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)ccc23)cc1.[C-]#[N+]c1ccc(-c2ccc3ccc(-c4ccc5c(-c6ncc7ccccc7n6)cccc5c4)cc3c2)cc1.

What is the InChIKey of 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile?

The InChIKey is AANWNRPHNABHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H21N3/c1-36-31-16-13-23(14-17-31)25-11-9-24-10-12-26(21-30(24)20-25)27-15-18-32-28(19-27)6-4-7-33(32)35-37-22-29-5-2-3-8-34(29)38-35;36-21-23-11-13-24(14-12-23)30-8-3-6-27-19-25(15-17-31(27)30)26-16-18-32-28(20-26)7-4-9-33(32)35-37-22-29-5-1-2-10-34(29)38-35;36-21-23-8-10-24(11-9-23)25-12-13-27-19-28(15-14-26(27)18-25)29-16-17-32-30(20-29)5-3-6-33(32)35-37-22-31-4-1-2-7-34(31)38-35/h2-22H;2*1-20,22H.

What are the key properties of 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile?

2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile has a molecular weight of 1450.72 g/mol, XLogP of 27.11, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[7-(4-isocyanophenyl)naphthalen-2-yl]naphthalen-1-yl]quinazoline;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-1-yl]benzonitrile;4-[6-(5-quinazolin-2-ylnaphthalen-2-yl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 157054121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).