5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline

C186H113N21S6 — CID 167682034

About 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline

5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline (PubChem CID 167682034) has the molecular formula C186H113N21S6 and a molecular weight of 2834.50 g/mol. Its IUPAC name is 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline
• PubChem CID: 167682034
• Molecular Formula: C186H113N21S6
• Molecular Weight: 2834.50 g/mol
• Exact Mass: 2831.78
• IUPAC Name: 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3cccc(N(c4ccccc4)c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/2C62H37N7S2.C62H39N7S2/c1-4-17-38(18-5-1)59-65-60(39-19-6-2-7-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(25-16-36-63-55)62(46)44-24-11-14-28-53(44)70-57-47(62)33-35-51-58(57)71-54-29-15-13-27-50(54)69(51)41-30-31-43-42-23-10-12-26-49(42)68(52(43)37-41)40-21-8-3-9-22-40;1-3-17-38(18-4-1)59-65-60(39-19-5-2-6-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(26-16-36-63-55)62(46)44-25-9-13-30-53(44)70-57-47(62)33-35-52-58(57)71-54-31-14-12-29-51(54)69(52)41-22-15-21-40(37-41)68-49-27-10-7-23-42(49)43-24-8-11-28-50(43)68;1-5-19-40(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)46-29-13-15-32-53(46)70-57-49(62)35-37-52-58(57)71-54-33-16-14-31-51(54)69(52)45-28-17-27-44(39-45)68(42-23-9-3-10-24-42)43-25-11-4-12-26-43/h2*1-37H;1-39H
• InChIKey: VRIMCAAULMWTDU-UHFFFAOYSA-N
• XLogP: 46.94
• TPSA: 216.17 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2834.50
LogP ≤ 5	46.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline?

The IUPAC name of 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline (CID 167682034) is 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline.

What is the SMILES notation for 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline?

The canonical SMILES for 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(n3)-c3ncccc3C43c4ccccc4Sc4c3ccc3c4Sc4ccccc4N3c3cccc(N(c4ccccc4)c4ccccc4)c3)n2)cc1.

What is the InChIKey of 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline?

The InChIKey is VRIMCAAULMWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H37N7S2.C62H39N7S2/c1-4-17-38(18-5-1)59-65-60(39-19-6-2-7-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(25-16-36-63-55)62(46)44-24-11-14-28-53(44)70-57-47(62)33-35-51-58(57)71-54-29-15-13-27-50(54)69(51)41-30-31-43-42-23-10-12-26-49(42)68(52(43)37-41)40-21-8-3-9-22-40;1-3-17-38(18-4-1)59-65-60(39-19-5-2-6-20-39)67-61(66-59)48-34-32-46-56(64-48)55-45(26-16-36-63-55)62(46)44-25-9-13-30-53(44)70-57-47(62)33-35-52-58(57)71-54-31-14-12-29-51(54)69(52)41-22-15-21-40(37-41)68-49-27-10-7-23-42(49)43-24-8-11-28-50(43)68;1-5-19-40(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)46-29-13-15-32-53(46)70-57-49(62)35-37-52-58(57)71-54-33-16-14-31-51(54)69(52)45-28-17-27-44(39-45)68(42-23-9-3-10-24-42)43-25-11-4-12-26-43/h2*1-37H;1-39H.

What are the key properties of 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline?

5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline has a molecular weight of 2834.50 g/mol, XLogP of 46.94, 17 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-(3-carbazol-9-ylphenyl)-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]phenothiazine];4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-(9-phenylcarbazol-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]phenothiazine];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]phenothiazine]-5'-yl]-N,N-diphenylaniline is sourced from PubChem (CID 167682034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).