23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene

C186H110N16 — CID 162106899

About 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene

23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 162106899) has the molecular formula C186H110N16 and a molecular weight of 2569.04 g/mol. Its IUPAC name is 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

• Compound Name: 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
• PubChem CID: 162106899
• Molecular Formula: C186H110N16
• Molecular Weight: 2569.04 g/mol
• Exact Mass: 2566.91
• IUPAC Name: 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8cc(-c9ccccc9)ccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccc7ccccc7c6)nc6ccccc56)c5c6ccccc6n(c3c2)c45)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c5c6ccccc6n(c3c2)c45)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc6ccccc56)c5c6ccccc6n(c3c2)c45)cc1
• InChI: InChI=1S/C50H30N4.C48H28N4.2C44H26N4/c1-3-13-31(14-4-1)33-23-25-34(26-24-33)49-51-41-20-10-7-17-37(41)50(52-49)54-43-22-12-8-18-38(43)46-45(54)30-40-36-28-27-35(32-15-5-2-6-16-32)29-44(36)53-42-21-11-9-19-39(42)47(46)48(40)53;1-2-12-29(13-3-1)32-24-25-34-38-28-43-44(45-37-18-8-10-20-40(37)51(46(38)45)42(34)27-32)36-17-7-11-21-41(36)52(43)48-35-16-6-9-19-39(35)49-47(50-48)33-23-22-30-14-4-5-15-31(30)26-33;1-3-13-27(14-4-1)29-23-24-30-34-26-39-40(41-33-19-9-11-21-36(33)47(42(34)41)38(30)25-29)32-18-8-12-22-37(32)48(39)44-31-17-7-10-20-35(31)45-43(46-44)28-15-5-2-6-16-28;1-3-13-27(14-4-1)29-23-24-30-34-26-39-40(41-33-19-9-11-21-36(33)47(43(34)41)38(30)25-29)32-18-8-12-22-37(32)48(39)44-45-35-20-10-7-17-31(35)42(46-44)28-15-5-2-6-16-28/h1-30H;1-28H;2*1-26H
• InChIKey: ZFPZCIQXMDJJAF-UHFFFAOYSA-N
• XLogP: 47.66
• TPSA: 140.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2569.04
LogP ≤ 5	47.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene?

The IUPAC name of 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 162106899) is 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene.

What is the SMILES notation for 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene?

The canonical SMILES for 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8cc(-c9ccccc9)ccc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccc7ccccc7c6)nc6ccccc56)c5c6ccccc6n(c3c2)c45)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccccc6)c6ccccc6n5)c5c6ccccc6n(c3c2)c45)cc1.c1ccc(-c2ccc3c4cc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc6ccccc56)c5c6ccccc6n(c3c2)c45)cc1.

What is the InChIKey of 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene?

The InChIKey is ZFPZCIQXMDJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.C48H28N4.2C44H26N4/c1-3-13-31(14-4-1)33-23-25-34(26-24-33)49-51-41-20-10-7-17-37(41)50(52-49)54-43-22-12-8-18-38(43)46-45(54)30-40-36-28-27-35(32-15-5-2-6-16-32)29-44(36)53-42-21-11-9-19-39(42)47(46)48(40)53;1-2-12-29(13-3-1)32-24-25-34-38-28-43-44(45-37-18-8-10-20-40(37)51(46(38)45)42(34)27-32)36-17-7-11-21-41(36)52(43)48-35-16-6-9-19-39(35)49-47(50-48)33-23-22-30-14-4-5-15-31(30)26-33;1-3-13-27(14-4-1)29-23-24-30-34-26-39-40(41-33-19-9-11-21-36(33)47(42(34)41)38(30)25-29)32-18-8-12-22-37(32)48(39)44-31-17-7-10-20-35(31)45-43(46-44)28-15-5-2-6-16-28;1-3-13-27(14-4-1)29-23-24-30-34-26-39-40(41-33-19-9-11-21-36(33)47(43(34)41)38(30)25-29)32-18-8-12-22-37(32)48(39)44-45-35-20-10-7-17-31(35)42(46-44)28-15-5-2-6-16-28/h1-30H;1-28H;2*1-26H.

What are the key properties of 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene?

23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 2569.04 g/mol, XLogP of 47.66, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(2-naphthalen-2-ylquinazolin-4-yl)-5-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(2-phenylquinazolin-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene;5-phenyl-23-(4-phenylquinazolin-2-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 162106899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).