2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C52H32N2 — CID 146494721

About 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 146494721) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 146494721
• Molecular Formula: C52H32N2
• Molecular Weight: 684.84 g/mol
• Exact Mass: 684.26
• IUPAC Name: 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)c4)cccc3n2)cc1
• InChI: InChI=1S/C52H32N2/c1-2-13-33(14-3-1)47-30-29-40-37(19-12-24-48(40)53-47)36-16-10-15-34(31-36)35-27-28-39-38-17-4-6-21-43(38)52(46(39)32-35)44-22-7-9-26-50(44)54-49-25-8-5-18-41(49)42-20-11-23-45(52)51(42)54/h1-32H
• InChIKey: DUDSYXQHFLOCRT-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.84
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 146494721) is 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2ccc3c(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-n6c7ccccc7c7cccc5c76)c4)cccc3n2)cc1.

What is the InChIKey of 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is DUDSYXQHFLOCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-2-13-33(14-3-1)47-30-29-40-37(19-12-24-48(40)53-47)36-16-10-15-34(31-36)35-27-28-39-38-17-4-6-21-43(38)52(46(39)32-35)44-22-7-9-26-50(44)54-49-25-8-5-18-41(49)42-20-11-23-45(52)51(42)54/h1-32H.

What are the key properties of 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 684.84 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 146494721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).