1-methyl-3,5,7-triphenyladamantane

C29H30 — CID 20728636

IUPAC1-methyl-3,5,7-triphenyladamantane
SMILESCC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3
InChIInChI=1S/C29H30/c1-26-17-27(23-11-5-2-6-12-23)20-28(18-26,24-13-7-3-8-14-24)22-29(19-26,21-27)25-15-9-4-10-16-25/h2-16H,17-22H2,1H3
InChIKeyIDRYOBSPLAYSQJ-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.19
Rot. Bonds3

About 1-methyl-3,5,7-triphenyladamantane

1-methyl-3,5,7-triphenyladamantane (PubChem CID 20728636) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-methyl-3,5,7-triphenyladamantane.

Molecular Properties

Compound Name1-methyl-3,5,7-triphenyladamantane
PubChem CID20728636
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name1-methyl-3,5,7-triphenyladamantane
SMILESCC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3
InChIInChI=1S/C29H30/c1-26-17-27(23-11-5-2-6-12-23)20-28(18-26,24-13-7-3-8-14-24)22-29(19-26,21-27)25-15-9-4-10-16-25/h2-16H,17-22H2,1H3
InChIKeyIDRYOBSPLAYSQJ-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3,4-bis(2-phenylethynyl)phenyl]-3-[4-[3-[3,4-bis(2-phenylethynyl)phenyl]-5,7-dimethyl-1-adamantyl]phenyl]-5,7-dimethyladamantane
CID 91607147
3-methyl-1,3,5-triphenylbicyclo[3.3.1]nonane
CID 142961380
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2-(3-phenyl-1-bicyclo[1.1.1]pentanyl)propan-2-ol
CID 15579859
tetrakis(1,4-bis(2-phenylethynyl)benzene);bromobenzene;1-ethynyl-4-(2-phenylethynyl)benzene;tris(1,3,5,7-tetramethyladamantane);1,3,5-trimethyl-7-phenyladamantane
CID 159002341
bromomethane;tetrakis(prop-1-ynylbenzene);bis(1,3,5,7-tetraphenyladamantane)
CID 159758538
1-(3,5-diethynylphenyl)-3-[3-[3-(3,5-diethynylphenyl)-5,7-dimethyl-1-adamantyl]phenyl]-5,7-dimethyladamantane
CID 91477797
dimethyl-phenyl-(3-phenyl-1-bicyclo[1.1.1]pentanyl)silane
CID 154717529
1-[3,5-bis(2-phenylethenyl)phenyl]-3-[3-[3,5-bis(2-phenylethenyl)phenyl]-5,7-dimethyl-1-adamantyl]-5,7-dimethyladamantane
CID 90766036
ethane;4-methyl-4-phenylpiperidine
CID 91476557
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyridine
CID 163800991
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5,7-triphenyladamantane?
The IUPAC name of 1-methyl-3,5,7-triphenyladamantane (CID 20728636) is 1-methyl-3,5,7-triphenyladamantane.
What is the SMILES notation for 1-methyl-3,5,7-triphenyladamantane?
The canonical SMILES for 1-methyl-3,5,7-triphenyladamantane is CC12CC3(c4ccccc4)CC(c4ccccc4)(C1)CC(c1ccccc1)(C2)C3.
What is the InChIKey of 1-methyl-3,5,7-triphenyladamantane?
The InChIKey is IDRYOBSPLAYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-26-17-27(23-11-5-2-6-12-23)20-28(18-26,24-13-7-3-8-14-24)22-29(19-26,21-27)25-15-9-4-10-16-25/h2-16H,17-22H2,1H3.
What are the key properties of 1-methyl-3,5,7-triphenyladamantane?
1-methyl-3,5,7-triphenyladamantane has a molecular weight of 378.56 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5,7-triphenyladamantane is sourced from PubChem (CID 20728636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).