4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]

C62H38N6S2 — CID 165162625

About 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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] (PubChem CID 165162625) has the molecular formula C62H38N6S2 and a molecular weight of 931.16 g/mol. Its IUPAC name is 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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].

Molecular Properties

• Compound Name: 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]
• PubChem CID: 165162625
• Molecular Formula: C62H38N6S2
• Molecular Weight: 931.16 g/mol
• Exact Mass: 930.26
• IUPAC Name: 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]
• SMILES: c1ccc(-c2cccc(N3c4ccccc4Sc4c3ccc3c4Sc4ccccc4C34c3cccnc3-c3nc(-c5ccccc5-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)ccc34)c2)cc1
• InChI: InChI=1S/C62H38N6S2/c1-2-12-39(13-3-1)42-14-10-15-44(36-42)68-54-20-7-9-22-57(54)70-61-55(68)26-24-50-60(61)69-56-21-8-6-18-47(56)62(50)48-19-11-31-65-58(48)59-49(62)23-25-51(67-59)45-16-4-5-17-46(45)53-38-43(40-27-32-63-33-28-40)37-52(66-53)41-29-34-64-35-30-41/h1-38H
• InChIKey: UCXIEMZTKGXNGN-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 67.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.16
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]?

The IUPAC name of 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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] (CID 165162625) is 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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].

What is the SMILES notation for 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]?

The canonical SMILES for 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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] is c1ccc(-c2cccc(N3c4ccccc4Sc4c3ccc3c4Sc4ccccc4C34c3cccnc3-c3nc(-c5ccccc5-c5cc(-c6ccncc6)cc(-c6ccncc6)n5)ccc34)c2)cc1.

What is the InChIKey of 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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]?

The InChIKey is UCXIEMZTKGXNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N6S2/c1-2-12-39(13-3-1)42-14-10-15-44(36-42)68-54-20-7-9-22-57(54)70-61-55(68)26-24-50-60(61)69-56-21-8-6-18-47(56)62(50)48-19-11-31-65-58(48)59-49(62)23-25-51(67-59)45-16-4-5-17-46(45)53-38-43(40-27-32-63-33-28-40)37-52(66-53)41-29-34-64-35-30-41/h1-38H.

What are the key properties of 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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] has a molecular weight of 931.16 g/mol, XLogP of 15.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-5'-(3-phenylphenyl)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] is sourced from PubChem (CID 165162625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).