4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid

C105H71B2Cl3N8O4 — CID 163766726

About 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid

4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid (PubChem CID 163766726) has the molecular formula C105H71B2Cl3N8O4 and a molecular weight of 1636.76 g/mol. Its IUPAC name is 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid.

Molecular Properties

• Compound Name: 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid
• PubChem CID: 163766726
• Molecular Formula: C105H71B2Cl3N8O4
• Molecular Weight: 1636.76 g/mol
• Exact Mass: 1634.48
• IUPAC Name: 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid
• SMILES: Cc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)c4ccccc34)cc2)cc1.Clc1nc(Cl)c2ccccc2n1.N#Cc1ccc(-c2ccc(-c3ccc(-c4nc(Cl)nc5ccccc45)c4ccccc34)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(B(O)O)c4ccccc34)cc2)cc1.OB(O)c1ccccc1
• InChI: InChI=1S/C37H26N2.C31H18ClN3.C23H16BNO2.C8H4Cl2N2.C6H7BO2/c1-25-15-17-26(18-16-25)27-19-21-28(22-20-27)30-23-24-33(32-12-6-5-11-31(30)32)36-34-13-7-8-14-35(34)38-37(39-36)29-9-3-2-4-10-29;32-31-34-29-8-4-3-7-28(29)30(35-31)27-18-17-24(25-5-1-2-6-26(25)27)23-15-13-22(14-16-23)21-11-9-20(19-33)10-12-21;25-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-23(24(26)27)22-4-2-1-3-21(20)22;9-7-5-3-1-2-4-6(5)11-8(10)12-7;8-7(9)6-4-2-1-3-5-6/h2-24H,1H3;1-18H;1-14,26-27H;1-4H;1-5,8-9H
• InChIKey: MCYFUZKLVFAZMO-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 205.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.76
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid?

The IUPAC name of 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid (CID 163766726) is 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid.

What is the SMILES notation for 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid?

The canonical SMILES for 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid is Cc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc5ccccc45)c4ccccc34)cc2)cc1.Clc1nc(Cl)c2ccccc2n1.N#Cc1ccc(-c2ccc(-c3ccc(-c4nc(Cl)nc5ccccc45)c4ccccc34)cc2)cc1.N#Cc1ccc(-c2ccc(-c3ccc(B(O)O)c4ccccc34)cc2)cc1.OB(O)c1ccccc1.

What is the InChIKey of 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid?

The InChIKey is MCYFUZKLVFAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2.C31H18ClN3.C23H16BNO2.C8H4Cl2N2.C6H7BO2/c1-25-15-17-26(18-16-25)27-19-21-28(22-20-27)30-23-24-33(32-12-6-5-11-31(30)32)36-34-13-7-8-14-35(34)38-37(39-36)29-9-3-2-4-10-29;32-31-34-29-8-4-3-7-28(29)30(35-31)27-18-17-24(25-5-1-2-6-26(25)27)23-15-13-22(14-16-23)21-11-9-20(19-33)10-12-21;25-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20-13-14-23(24(26)27)22-4-2-1-3-21(20)22;9-7-5-3-1-2-4-6(5)11-8(10)12-7;8-7(9)6-4-2-1-3-5-6/h2-24H,1H3;1-18H;1-14,26-27H;1-4H;1-5,8-9H.

What are the key properties of 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid?

4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid has a molecular weight of 1636.76 g/mol, XLogP of 24.10, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(2-chloroquinazolin-4-yl)naphthalen-1-yl]phenyl]benzonitrile;[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]boronic acid;2,4-dichloroquinazoline;4-[4-[4-(4-methylphenyl)phenyl]naphthalen-1-yl]-2-phenylquinazoline;phenylboronic acid is sourced from PubChem (CID 163766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).