23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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

C52H32N4 — CID 134404122

About 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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

23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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 (PubChem CID 134404122) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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.

Molecular Properties

• Compound Name: 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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
• PubChem CID: 134404122
• Molecular Formula: C52H32N4
• Molecular Weight: 712.86 g/mol
• Exact Mass: 712.26
• IUPAC Name: 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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
• SMILES: C1=Cc2c(cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)c3ccccc23)CC1
• InChI: InChI=1S/C52H32N4/c1-2-14-31(15-3-1)32-26-27-46-40(28-32)41-30-47-48(49-39-22-10-12-24-44(39)55(46)50(41)49)38-21-9-13-25-45(38)56(47)52-37-20-8-11-23-43(37)53-51(54-52)42-29-33-16-4-5-17-34(33)35-18-6-7-19-36(35)42/h1-3,5-15,17-30H,4,16H2
• InChIKey: GUCUGQQLEWEFGO-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.86
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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?

The IUPAC name of 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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 (CID 134404122) is 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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.

What is the SMILES notation for 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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?

The canonical SMILES for 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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 is C1=Cc2c(cc(-c3nc(-n4c5ccccc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)c3ccccc23)CC1.

What is the InChIKey of 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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?

The InChIKey is GUCUGQQLEWEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-14-31(15-3-1)32-26-27-46-40(28-32)41-30-47-48(49-39-22-10-12-24-44(39)55(46)50(41)49)38-21-9-13-25-45(38)56(47)52-37-20-8-11-23-43(37)53-51(54-52)42-29-33-16-4-5-17-34(33)35-18-6-7-19-36(35)42/h1-3,5-15,17-30H,4,16H2.

What are the key properties of 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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?

23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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 has a molecular weight of 712.86 g/mol, XLogP of 13.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[2-(1,2-dihydrophenanthren-9-yl)quinazolin-4-yl]-4-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 is sourced from PubChem (CID 134404122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).