4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine

C35H29N — CID 164792178

IUPAC4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3c(c2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc23)c1)C(C)C
InChIInChI=1S/C35H29N/c1-24(2)21-25-19-20-36-33(22-25)28-17-18-30-29-15-9-10-16-31(29)34(26-11-5-3-6-12-26)35(32(30)23-28)27-13-7-4-8-14-27/h3-20,22-24H,21H2,1-2H3/i21D2
InChIKeyQBHFHXGHWDFPCB-GQZVJHRESA-N
MW465.64 g/mol
LogP9.59
Rot. Bonds5

About 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine

4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine (PubChem CID 164792178) has the molecular formula C35H29N and a molecular weight of 465.64 g/mol. Its IUPAC name is 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine.

Molecular Properties

Compound Name4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
PubChem CID164792178
Molecular FormulaC35H29N
Molecular Weight465.64 g/mol
Exact Mass465.24
IUPAC Name4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
SMILES[2H]C([2H])(c1ccnc(-c2ccc3c(c2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc23)c1)C(C)C
InChIInChI=1S/C35H29N/c1-24(2)21-25-19-20-36-33(22-25)28-17-18-30-29-15-9-10-16-31(29)34(26-11-5-3-6-12-26)35(32(30)23-28)27-13-7-4-8-14-27/h3-20,22-24H,21H2,1-2H3/i21D2
InChIKeyQBHFHXGHWDFPCB-GQZVJHRESA-N
XLogP9.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
CID 162709897
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-(1,1-dideuterio-2-methylpropyl)-2-[6-(trideuteriomethyl)-7-[4-(trideuteriomethyl)phenyl]dibenzothiophen-4-yl]pyridine
CID 166574090
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[4-[10-[4-(4-cyano-2-pyridinyl)phenyl]-3-phenylanthracen-9-yl]phenyl]pyridine-4-carbonitrile
CID 126541941
4-(1,1-dideuterio-2-methylpropyl)-2-(3H-phenanthren-3-id-2-yl)pyridine;iridium;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 164792237
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine?
The IUPAC name of 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine (CID 164792178) is 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine.
What is the SMILES notation for 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine?
The canonical SMILES for 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine is [2H]C([2H])(c1ccnc(-c2ccc3c(c2)c(-c2ccccc2)c(-c2ccccc2)c2ccccc23)c1)C(C)C.
What is the InChIKey of 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine?
The InChIKey is QBHFHXGHWDFPCB-GQZVJHRESA-N. The full InChI is InChI=1S/C35H29N/c1-24(2)21-25-19-20-36-33(22-25)28-17-18-30-29-15-9-10-16-31(29)34(26-11-5-3-6-12-26)35(32(30)23-28)27-13-7-4-8-14-27/h3-20,22-24H,21H2,1-2H3/i21D2.
What are the key properties of 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine?
4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine has a molecular weight of 465.64 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine is sourced from PubChem (CID 164792178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).