4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol

C35H35NO2P2+2 — CID 72697781

IUPAC4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol
SMILESCc1nc2c(c(CO)c1O)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C35H34NO2P2/c1-27-35(38)32(24-37)33-25-39(28-14-6-2-7-15-28,29-16-8-3-9-17-29)22-23-40(26-34(33)36-27,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,37H,22-26H2,1H3/q+1/p+1
InChIKeyQSUMEGUYQQHSEX-UHFFFAOYSA-O
MW563.62 g/mol
LogP5.94
Rot. Bonds5

About 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol

4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol (PubChem CID 72697781) has the molecular formula C35H35NO2P2+2 and a molecular weight of 563.62 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol
PubChem CID72697781
Molecular FormulaC35H35NO2P2+2
Molecular Weight563.62 g/mol
Exact Mass563.21
IUPAC Name4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol
SMILESCc1nc2c(c(CO)c1O)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C35H34NO2P2/c1-27-35(38)32(24-37)33-25-39(28-14-6-2-7-15-28,29-16-8-3-9-17-29)22-23-40(26-34(33)36-27,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,37H,22-26H2,1H3/q+1/p+1
InChIKeyQSUMEGUYQQHSEX-UHFFFAOYSA-O
XLogP5.94
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.62
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol?
The IUPAC name of 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol (CID 72697781) is 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol is Cc1nc2c(c(CO)c1O)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2.
What is the InChIKey of 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol?
The InChIKey is QSUMEGUYQQHSEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C35H34NO2P2/c1-27-35(38)32(24-37)33-25-39(28-14-6-2-7-15-28,29-16-8-3-9-17-29)22-23-40(26-34(33)36-27,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,37H,22-26H2,1H3/q+1/p+1.
What are the key properties of 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol?
4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol has a molecular weight of 563.62 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methyl-6,6,9,9-tetraphenyl-5,7,8,10-tetrahydro-[1,4]diphosphocino[6,7-b]pyridine-6,9-diium-3-ol is sourced from PubChem (CID 72697781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).