3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline

C62H39N7OS — CID 165162464

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline (PubChem CID 165162464) has the molecular formula C62H39N7OS and a molecular weight of 930.11 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline
• PubChem CID: 165162464
• Molecular Formula: C62H39N7OS
• Molecular Weight: 930.11 g/mol
• Exact Mass: 929.29
• IUPAC Name: 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Oc4ccccc4N3c3cccc(N(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C62H39N7OS/c1-5-19-40(20-6-1)59-65-60(41-21-7-2-8-22-41)67-61(66-59)50-36-34-48-56(64-50)55-47(30-18-38-63-55)62(48)46-29-13-16-33-54(46)71-58-49(62)35-37-52-57(58)70-53-32-15-14-31-51(53)69(52)45-28-17-27-44(39-45)68(42-23-9-3-10-24-42)43-25-11-4-12-26-43/h1-39H
• InChIKey: SJGCZKXRJXTAAS-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 80.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.11
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline?

The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline (CID 165162464) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline.

What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline?

The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Oc4ccccc4N3c3cccc(N(c4ccccc4)c4ccccc4)c3)n2)cc1.

What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline?

The InChIKey is SJGCZKXRJXTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7OS/c1-5-19-40(20-6-1)59-65-60(41-21-7-2-8-22-41)67-61(66-59)50-36-34-48-56(64-50)55-47(30-18-38-63-55)62(48)46-29-13-16-33-54(46)71-58-49(62)35-37-52-57(58)70-53-32-15-14-31-51(53)69(52)45-28-17-27-44(39-45)68(42-23-9-3-10-24-42)43-25-11-4-12-26-43/h1-39H.

What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline?

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline has a molecular weight of 930.11 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)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'-yl]-N,N-diphenylaniline is sourced from PubChem (CID 165162464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).