4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene

C160H96N12 — CID 159502057

About 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene

4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene (PubChem CID 159502057) has the molecular formula C160H96N12 and a molecular weight of 2186.61 g/mol. Its IUPAC name is 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene.

Molecular Properties

• Compound Name: 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene
• PubChem CID: 159502057
• Molecular Formula: C160H96N12
• Molecular Weight: 2186.61 g/mol
• Exact Mass: 2184.79
• IUPAC Name: 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccc6ccccc6c3)nc3ccccc23)c45)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccccc3)nc3ccccc23)c45)cc1
• InChI: InChI=1S/C56H34N4.C54H32N4.C50H30N4/c1-4-14-35(15-5-1)38-24-26-39(27-25-38)55-57-47-22-12-10-20-42(47)56(58-55)60-50-31-29-41(37-18-8-3-9-19-37)33-46(50)52-51(60)34-45-44-32-40(36-16-6-2-7-17-36)28-30-49(44)59-48-23-13-11-21-43(48)53(52)54(45)59;1-3-13-33(14-4-1)37-25-27-47-42(30-37)43-32-49-50(51-41-20-10-12-22-46(41)57(47)52(43)51)44-31-38(34-15-5-2-6-16-34)26-28-48(44)58(49)54-40-19-9-11-21-45(40)55-53(56-54)39-24-23-35-17-7-8-18-36(35)29-39;1-4-14-31(15-5-1)34-24-26-43-38(28-34)39-30-45-46(47-37-21-11-13-23-42(37)53(43)48(39)47)40-29-35(32-16-6-2-7-17-32)25-27-44(40)54(45)50-36-20-10-12-22-41(36)51-49(52-50)33-18-8-3-9-19-33/h1-34H;1-32H;1-30H
• InChIKey: LZMZXGDPUIELKY-UHFFFAOYSA-N
• XLogP: 41.45
• TPSA: 105.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.61
LogP ≤ 5	41.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene?

The IUPAC name of 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene (CID 159502057) is 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene.

What is the SMILES notation for 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene?

The canonical SMILES for 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccc6ccccc6c3)nc3ccccc23)c45)cc1.c1ccc(-c2ccc3c(c2)c2c4c5ccccc5n5c6ccc(-c7ccccc7)cc6c(cc2n3-c2nc(-c3ccccc3)nc3ccccc23)c45)cc1.

What is the InChIKey of 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene?

The InChIKey is LZMZXGDPUIELKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C54H32N4.C50H30N4/c1-4-14-35(15-5-1)38-24-26-39(27-25-38)55-57-47-22-12-10-20-42(47)56(58-55)60-50-31-29-41(37-18-8-3-9-19-37)33-46(50)52-51(60)34-45-44-32-40(36-16-6-2-7-17-36)28-30-49(44)59-48-23-13-11-21-43(48)53(52)54(45)59;1-3-13-33(14-4-1)37-25-27-47-42(30-37)43-32-49-50(51-41-20-10-12-22-46(41)57(47)52(43)51)44-31-38(34-15-5-2-6-16-34)26-28-48(44)58(49)54-40-19-9-11-21-45(40)55-53(56-54)39-24-23-35-17-7-8-18-36(35)29-39;1-4-14-31(15-5-1)34-24-26-43-38(28-34)39-30-45-46(47-37-21-11-13-23-42(37)53(43)48(39)47)40-29-35(32-16-6-2-7-17-32)25-27-44(40)54(45)50-36-20-10-12-22-41(36)51-49(52-50)33-18-8-3-9-19-33/h1-34H;1-32H;1-30H.

What are the key properties of 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene?

4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene has a molecular weight of 2186.61 g/mol, XLogP of 41.45, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,19-diphenyl-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(22),18,20-dodecaene;4,19-diphenyl-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(22),18,20-dodecaene;23-(2-naphthalen-2-ylquinazolin-4-yl)-4,19-diphenyl-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(22),18,20-dodecaene is sourced from PubChem (CID 159502057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).