2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine

C29H25N — CID 164792300

IUPAC2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
SMILESCc1c(-c2ccccc2)c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12
InChIInChI=1S/C29H25N/c1-19(2)22-15-16-30-28(18-22)23-13-14-26-25-12-8-7-11-24(25)20(3)29(27(26)17-23)21-9-5-4-6-10-21/h4-19H,1-3H3
InChIKeyBLFVQXOINFWOBJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP8.15
Rot. Bonds3

About 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine

2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine (PubChem CID 164792300) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
PubChem CID164792300
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
SMILESCc1c(-c2ccccc2)c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12
InChIInChI=1S/C29H25N/c1-19(2)22-15-16-30-28(18-22)23-13-14-26-25-12-8-7-11-24(25)20(3)29(27(26)17-23)21-9-5-4-6-10-21/h4-19H,1-3H3
InChIKeyBLFVQXOINFWOBJ-UHFFFAOYSA-N
XLogP8.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
CID 164792192
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
4-(1,1-dideuterio-2-methylpropyl)-2-(9,10-diphenylphenanthren-2-yl)pyridine
CID 164792178
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
trimethyl-[4-phenyl-6-(4-propan-2-yl-2-pyridinyl)dibenzofuran-3-yl]germane
CID 164832486
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
CID 166578354
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine?
The IUPAC name of 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine (CID 164792300) is 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine is Cc1c(-c2ccccc2)c2cc(-c3cc(C(C)C)ccn3)ccc2c2ccccc12.
What is the InChIKey of 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine?
The InChIKey is BLFVQXOINFWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-19(2)22-15-16-30-28(18-22)23-13-14-26-25-12-8-7-11-24(25)20(3)29(27(26)17-23)21-9-5-4-6-10-21/h4-19H,1-3H3.
What are the key properties of 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine?
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine has a molecular weight of 387.53 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 164792300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).