N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline

C56H35N5O2 — CID 165162652

About N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline

N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline (PubChem CID 165162652) has the molecular formula C56H35N5O2 and a molecular weight of 809.93 g/mol. Its IUPAC name is N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline
• PubChem CID: 165162652
• Molecular Formula: C56H35N5O2
• Molecular Weight: 809.93 g/mol
• Exact Mass: 809.28
• IUPAC Name: N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline
• SMILES: c1ccc(N(c2ccccc2)c2cccc(N3c4ccccc4Oc4c3ccc3c4Oc4ccccc4C34c3cccnc3-c3nc(-c5cccc6cccnc56)ccc34)c2)cc1
• InChI: InChI=1S/C56H35N5O2/c1-3-17-37(18-4-1)60(38-19-5-2-6-20-38)39-21-12-22-40(35-39)61-47-26-8-10-28-50(47)63-55-48(61)32-30-45-54(55)62-49-27-9-7-24-42(49)56(45)43-25-14-34-58-52(43)53-44(56)29-31-46(59-53)41-23-11-15-36-16-13-33-57-51(36)41/h1-35H
• InChIKey: DINIIMSMZQWJKR-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.93
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline?

The IUPAC name of N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline (CID 165162652) is N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline.

What is the SMILES notation for N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline?

The canonical SMILES for N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline is c1ccc(N(c2ccccc2)c2cccc(N3c4ccccc4Oc4c3ccc3c4Oc4ccccc4C34c3cccnc3-c3nc(-c5cccc6cccnc56)ccc34)c2)cc1.

What is the InChIKey of N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline?

The InChIKey is DINIIMSMZQWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O2/c1-3-17-37(18-4-1)60(38-19-5-2-6-20-38)39-21-12-22-40(35-39)61-47-26-8-10-28-50(47)63-55-48(61)32-30-45-54(55)62-49-27-9-7-24-42(49)56(45)43-25-14-34-58-52(43)53-44(56)29-31-46(59-53)41-23-11-15-36-16-13-33-57-51(36)41/h1-35H.

What are the key properties of N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline?

N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline has a molecular weight of 809.93 g/mol, XLogP of 14.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-3-(4-quinolin-8-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-chromeno[3,2-c]phenoxazine]-5'-yl)aniline is sourced from PubChem (CID 165162652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).