17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene

C150H88N12 — CID 157344056

About 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene

17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene (PubChem CID 157344056) has the molecular formula C150H88N12 and a molecular weight of 2058.44 g/mol. Its IUPAC name is 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 157344056
• Molecular Formula: C150H88N12
• Molecular Weight: 2058.44 g/mol
• Exact Mass: 2056.73
• IUPAC Name: 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5nc(-c6ccc7c(ccc8ccccc87)c6)nc6ccccc56)c4c4c5ccccc5n3c24)cc1.c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5nc(-c6cccc7ccccc67)nc6ccccc56)c4c4c5ccccc5n3c24)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7cc(-c8ccccc8)ccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)c2)cc1
• InChI: InChI=1S/C52H30N4.C50H30N4.C48H28N4/c1-2-12-31(13-3-1)33-25-27-47-41(29-33)43-30-42-38-16-7-10-20-45(38)56(50(42)48-40-18-8-11-21-46(40)55(47)49(43)48)52-39-17-6-9-19-44(39)53-51(54-52)35-24-26-37-34(28-35)23-22-32-14-4-5-15-36(32)37;1-3-14-31(15-4-1)33-18-13-19-35(28-33)49-51-42-23-10-7-21-37(42)50(52-49)54-43-24-11-8-20-36(43)40-30-41-39-29-34(32-16-5-2-6-17-32)26-27-45(39)53-44-25-12-9-22-38(44)46(47(41)53)48(40)54;1-2-13-29(14-3-1)31-25-26-43-37(27-31)39-28-38-33-18-7-10-23-41(33)52(46(38)44-36-20-8-11-24-42(36)51(43)45(39)44)48-35-19-6-9-22-40(35)49-47(50-48)34-21-12-16-30-15-4-5-17-32(30)34/h1-30H;1-30H;1-28H
• InChIKey: BGSZFUYPXJSJLZ-UHFFFAOYSA-N
• XLogP: 38.76
• TPSA: 105.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2058.44
LogP ≤ 5	38.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene (CID 157344056) is 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene is c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5nc(-c6ccc7c(ccc8ccccc87)c6)nc6ccccc56)c4c4c5ccccc5n3c24)cc1.c1ccc(-c2ccc3c(c2)c2cc4c5ccccc5n(-c5nc(-c6cccc7ccccc67)nc6ccccc56)c4c4c5ccccc5n3c24)cc1.c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6c7cc(-c8ccccc8)ccc7n7c8ccccc8c(c54)c67)c4ccccc4n3)c2)cc1.

What is the InChIKey of 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene?

The InChIKey is BGSZFUYPXJSJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4.C50H30N4.C48H28N4/c1-2-12-31(13-3-1)33-25-27-47-41(29-33)43-30-42-38-16-7-10-20-45(38)56(50(42)48-40-18-8-11-21-46(40)55(47)49(43)48)52-39-17-6-9-19-44(39)53-51(54-52)35-24-26-37-34(28-35)23-22-32-14-4-5-15-36(32)37;1-3-14-31(15-4-1)33-18-13-19-35(28-33)49-51-42-23-10-7-21-37(42)50(52-49)54-43-24-11-8-20-36(43)40-30-41-39-29-34(32-16-5-2-6-17-32)26-27-45(39)53-44-25-12-9-22-38(44)46(47(41)53)48(40)54;1-2-13-29(14-3-1)31-25-26-43-37(27-31)39-28-38-33-18-7-10-23-41(33)52(46(38)44-36-20-8-11-24-42(36)51(43)45(39)44)48-35-19-6-9-22-40(35)49-47(50-48)34-21-12-16-30-15-4-5-17-32(30)34/h1-30H;1-30H;1-28H.

What are the key properties of 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene?

17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene has a molecular weight of 2058.44 g/mol, XLogP of 38.76, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(2-naphthalen-1-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;17-(2-phenanthren-2-ylquinazolin-4-yl)-4-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene;4-phenyl-17-[2-(3-phenylphenyl)quinazolin-4-yl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 157344056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).