5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]

C59H35N5OS — CID 165162512

About 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]

5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine] (PubChem CID 165162512) has the molecular formula C59H35N5OS and a molecular weight of 862.03 g/mol. Its IUPAC name is 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine].

Molecular Properties

• Compound Name: 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]
• PubChem CID: 165162512
• Molecular Formula: C59H35N5OS
• Molecular Weight: 862.03 g/mol
• Exact Mass: 861.26
• IUPAC Name: 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cnc5c(c4)C4(c6ccccc6Sc6c4ccc4c6Oc6ccccc6N4c4cccc6ccccc46)c4cccnc4-5)cc3)nc3ccccc23)cc1
• InChI: InChI=1S/C59H35N5OS/c1-2-15-38(16-3-1)53-42-19-6-8-22-47(42)62-58(63-53)39-29-27-36(28-30-39)40-34-46-55(61-35-40)54-44(21-13-33-60-54)59(46)43-20-7-11-26-52(43)66-57-45(59)31-32-50-56(57)65-51-25-10-9-23-49(51)64(50)48-24-12-17-37-14-4-5-18-41(37)48/h1-35H
• InChIKey: DNBOXNLMQUALBJ-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 64.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.03
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]?

The IUPAC name of 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine] (CID 165162512) is 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine].

What is the SMILES notation for 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]?

The canonical SMILES for 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine] is c1ccc(-c2nc(-c3ccc(-c4cnc5c(c4)C4(c6ccccc6Sc6c4ccc4c6Oc6ccccc6N4c4cccc6ccccc46)c4cccnc4-5)cc3)nc3ccccc23)cc1.

What is the InChIKey of 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]?

The InChIKey is DNBOXNLMQUALBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5OS/c1-2-15-38(16-3-1)53-42-19-6-8-22-47(42)62-58(63-53)39-29-27-36(28-30-39)40-34-46-55(61-35-40)54-44(21-13-33-60-54)59(46)43-20-7-11-26-52(43)66-57-45(59)31-32-50-56(57)65-51-25-10-9-23-49(51)64(50)48-24-12-17-37-14-4-5-18-41(37)48/h1-35H.

What are the key properties of 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine]?

5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine] has a molecular weight of 862.03 g/mol, XLogP of 14.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-naphthalen-1-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-thiochromeno[3,2-c]phenoxazine] is sourced from PubChem (CID 165162512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).