3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride

C49H52Cl4N9O6PS2 — CID 161047414

About 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride

3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride (PubChem CID 161047414) has the molecular formula C49H52Cl4N9O6PS2 and a molecular weight of 1099.93 g/mol. Its IUPAC name is 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride
• PubChem CID: 161047414
• Molecular Formula: C49H52Cl4N9O6PS2
• Molecular Weight: 1099.93 g/mol
• Exact Mass: 1097.20
• IUPAC Name: 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride
• SMILES: Cl.Clc1ncc(Cl)c(-c2cn(-c3ccccc3)c3ccccc23)n1.N[C@@H]1CCC[C@@H](O)C1.O=S=O.O=S=O.O[C@@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cn(-c4ccccc4)c4ccccc34)n2)C1.[H]/P=N/C
• InChI: InChI=1S/C24H23ClN4O.C18H11Cl2N3.C6H13NO.CH4NP.ClH.2O2S/c25-21-14-26-24(27-16-7-6-10-18(30)13-16)28-23(21)20-15-29(17-8-2-1-3-9-17)22-12-5-4-11-19(20)22;19-15-10-21-18(20)22-17(15)14-11-23(12-6-2-1-3-7-12)16-9-5-4-8-13(14)16;7-5-2-1-3-6(8)4-5;1-2-3;;2*1-3-2/h1-5,8-9,11-12,14-16,18,30H,6-7,10,13H2,(H,26,27,28);1-11H;5-6,8H,1-4,7H2;3H,1H3;1H;;/t16-,18-;;5-,6-;;;;/m1.1..../s1
• InChIKey: WFNOSBIWSJPDMN-AKHWJVSASA-N
• XLogP: 11.12
• TPSA: 220.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.93
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride?

The IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride (CID 161047414) is 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride.

What is the SMILES notation for 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride?

The canonical SMILES for 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride is Cl.Clc1ncc(Cl)c(-c2cn(-c3ccccc3)c3ccccc23)n1.N[C@@H]1CCC[C@@H](O)C1.O=S=O.O=S=O.O[C@@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cn(-c4ccccc4)c4ccccc34)n2)C1.[H]/P=N/C.

What is the InChIKey of 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride?

The InChIKey is WFNOSBIWSJPDMN-AKHWJVSASA-N. The full InChI is InChI=1S/C24H23ClN4O.C18H11Cl2N3.C6H13NO.CH4NP.ClH.2O2S/c25-21-14-26-24(27-16-7-6-10-18(30)13-16)28-23(21)20-15-29(17-8-2-1-3-9-17)22-12-5-4-11-19(20)22;19-15-10-21-18(20)22-17(15)14-11-23(12-6-2-1-3-7-12)16-9-5-4-8-13(14)16;7-5-2-1-3-6(8)4-5;1-2-3;;2*1-3-2/h1-5,8-9,11-12,14-16,18,30H,6-7,10,13H2,(H,26,27,28);1-11H;5-6,8H,1-4,7H2;3H,1H3;1H;;/t16-,18-;;5-,6-;;;;/m1.1..../s1.

What are the key properties of 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride?

3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride has a molecular weight of 1099.93 g/mol, XLogP of 11.12, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dichloropyrimidin-4-yl)-1-phenylindole;methyliminophosphane;bis(sulfur dioxide);trans-(1R,3R)-3-aminocyclohexan-1-ol;trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 161047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).