21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene

C154H90N12 — CID 162153636

About 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene

21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene (PubChem CID 162153636) has the molecular formula C154H90N12 and a molecular weight of 2108.50 g/mol. Its IUPAC name is 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene.

Molecular Properties

• Compound Name: 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
• PubChem CID: 162153636
• Molecular Formula: C154H90N12
• Molecular Weight: 2108.50 g/mol
• Exact Mass: 2106.74
• IUPAC Name: 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5c6ccccc6n6c7ccccc7c(c3n4-c3nc(-c4ccc7ccccc7c4)c4ccccc4n3)c56)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n5c6ccccc6c(c2n3-c2nc(-c3ccc6ccccc6c3)nc3ccccc23)c45)cc1.c1ccc2cc(-c3ccc4c(c3)c3cc5c6ccccc6n6c7ccccc7c(c3n4-c3nc(-c4ccc7ccccc7c4)c4ccccc4n3)c56)ccc2c1
• InChI: InChI=1S/C54H32N4.C52H30N4.C48H28N4/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)38-28-29-49-43(31-38)45-32-44-40-16-7-10-20-47(40)57-48-21-11-8-18-42(48)50(52(44)57)53(45)58(49)54-55-46-19-9-6-17-41(46)51(56-54)39-27-26-34-14-4-5-15-37(34)30-39;1-3-13-33-27-35(23-21-31(33)11-1)36-25-26-47-41(29-36)43-30-42-38-15-6-9-19-45(38)55-46-20-10-7-17-40(46)48(50(42)55)51(43)56(47)52-53-44-18-8-5-16-39(44)49(54-52)37-24-22-32-12-2-4-14-34(32)28-37;1-2-12-29(13-3-1)32-24-25-43-37(27-32)39-28-38-34-16-7-10-20-41(34)51-42-21-11-8-18-36(42)44(45(38)51)46(39)52(43)48-35-17-6-9-19-40(35)49-47(50-48)33-23-22-30-14-4-5-15-31(30)26-33/h1-32H;1-30H;1-28H
• InChIKey: ZLNRQJLEDZJREH-UHFFFAOYSA-N
• XLogP: 39.91
• TPSA: 105.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.50
LogP ≤ 5	39.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene?

The IUPAC name of 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene (CID 162153636) is 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene.

What is the SMILES notation for 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene?

The canonical SMILES for 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5c6ccccc6n6c7ccccc7c(c3n4-c3nc(-c4ccc7ccccc7c4)c4ccccc4n3)c56)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n5c6ccccc6c(c2n3-c2nc(-c3ccc6ccccc6c3)nc3ccccc23)c45)cc1.c1ccc2cc(-c3ccc4c(c3)c3cc5c6ccccc6n6c7ccccc7c(c3n4-c3nc(-c4ccc7ccccc7c4)c4ccccc4n3)c56)ccc2c1.

What is the InChIKey of 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene?

The InChIKey is ZLNRQJLEDZJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4.C52H30N4.C48H28N4/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)38-28-29-49-43(31-38)45-32-44-40-16-7-10-20-47(40)57-48-21-11-8-18-42(48)50(52(44)57)53(45)58(49)54-55-46-19-9-6-17-41(46)51(56-54)39-27-26-34-14-4-5-15-37(34)30-39;1-3-13-33-27-35(23-21-31(33)11-1)36-25-26-47-41(29-36)43-30-42-38-15-6-9-19-45(38)55-46-20-10-7-17-40(46)48(50(42)55)51(43)56(47)52-53-44-18-8-5-16-39(44)49(54-52)37-24-22-32-12-2-4-14-34(32)28-37;1-2-12-29(13-3-1)32-24-25-43-37(27-32)39-28-38-34-16-7-10-20-41(34)51-42-21-11-8-18-36(42)44(45(38)51)46(39)52(43)48-35-17-6-9-19-40(35)49-47(50-48)33-23-22-30-14-4-5-15-31(30)26-33/h1-32H;1-30H;1-28H.

What are the key properties of 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene?

21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene has a molecular weight of 2108.50 g/mol, XLogP of 39.91, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 21-naphthalen-2-yl-17-(4-naphthalen-2-ylquinazolin-2-yl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(2-naphthalen-2-ylquinazolin-4-yl)-21-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene;17-(4-naphthalen-2-ylquinazolin-2-yl)-21-(4-phenylphenyl)-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18(23),19,21-dodecaene is sourced from PubChem (CID 162153636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).