5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine

C68H65N3 — CID 171404971

IUPAC5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(-c2cc3c(c4c2C([2H])([2H])CC4([2H])[2H])-c2ccccc2C3(C)C)ncc1C([2H])([2H])C([2H])([2H])c1cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C68H65N3/c1-45-19-14-15-24-54(45)58-39-64(59-38-61-65(56-27-18-26-55(56)59)57-25-16-17-28-60(57)68(61,6)7)69-42-51(58)30-29-46-35-47(40-66(2,3)52-31-33-62(70-43-52)49-20-10-8-11-21-49)37-48(36-46)41-67(4,5)53-32-34-63(71-44-53)50-22-12-9-13-23-50/h8-17,19-25,28,31-39,42-44H,18,26-27,29-30,40-41H2,1-7H3/i1D3,26D2,27D2,29D2,30D2
InChIKeyJHLXNPOADLJNNW-KEGKTDOASA-N
MW935.36 g/mol
LogP16.47
Rot. Bonds14

About 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine

5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine (PubChem CID 171404971) has the molecular formula C68H65N3 and a molecular weight of 935.36 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
PubChem CID171404971
Molecular FormulaC68H65N3
Molecular Weight935.36 g/mol
Exact Mass934.59
IUPAC Name5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(-c2cc3c(c4c2C([2H])([2H])CC4([2H])[2H])-c2ccccc2C3(C)C)ncc1C([2H])([2H])C([2H])([2H])c1cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C68H65N3/c1-45-19-14-15-24-54(45)58-39-64(59-38-61-65(56-27-18-26-55(56)59)57-25-16-17-28-60(57)68(61,6)7)69-42-51(58)30-29-46-35-47(40-66(2,3)52-31-33-62(70-43-52)49-20-10-8-11-21-49)37-48(36-46)41-67(4,5)53-32-34-63(71-44-53)50-22-12-9-13-23-50/h8-17,19-25,28,31-39,42-44H,18,26-27,29-30,40-41H2,1-7H3/i1D3,26D2,27D2,29D2,30D2
InChIKeyJHLXNPOADLJNNW-KEGKTDOASA-N
XLogP16.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.36
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]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

5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine;iridium(3+)
CID 171404778
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyridine
CID 171405020
8-[5-[2-[3-[2-[6-(3-cyclopentylphenyl)-3-pyridinyl]-2-methylpropyl]-5-[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-[2-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 171405119
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(trideuteriomethyl)pyridine
CID 171405197
2-[4-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]phenyl]-4-(4-cyclohexylphenyl)-5-(trideuteriomethyl)pyridine
CID 171404969
8-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(trideuteriomethyl)-2-pyridinyl]-3-deuterio-1-phenyl-[1]benzofuro[2,3-c]pyridine
CID 171404753
4-[5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7-(trideuteriomethyl)-[1]benzofuro[2,3-b]quinoline
CID 171404902
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(3H-dibenzothiophen-3-id-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine;iridium(3+)
CID 171404727
5-[2-[3,5-bis[2-methyl-2-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-[4-(4,4-dimethylcyclohexyl)phenyl]-2-phenylpyridine;iridium(3+)
CID 171405088
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(3,5-dicyclohexylphenyl)-2-phenylpyridine;iridium(3+)
CID 171405075
5-[2-[3,5-bis[[1-(6-phenyl-3-pyridinyl)cyclopentyl]methyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(8-deuterio-9-isocyanodibenzofuran-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine
CID 171405169
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenyl-5-[1,1,2,2-tetradeuterio-2-[3-[1,1-dideuterio-2-[6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 161197258

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine (CID 171404971) is 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1ccccc1-c1cc(-c2cc3c(c4c2C([2H])([2H])CC4([2H])[2H])-c2ccccc2C3(C)C)ncc1C([2H])([2H])C([2H])([2H])c1cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)cc(CC(C)(C)c2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is JHLXNPOADLJNNW-KEGKTDOASA-N. The full InChI is InChI=1S/C68H65N3/c1-45-19-14-15-24-54(45)58-39-64(59-38-61-65(56-27-18-26-55(56)59)57-25-16-17-28-60(57)68(61,6)7)69-42-51(58)30-29-46-35-47(40-66(2,3)52-31-33-62(70-43-52)49-20-10-8-11-21-49)37-48(36-46)41-67(4,5)53-32-34-63(71-44-53)50-22-12-9-13-23-50/h8-17,19-25,28,31-39,42-44H,18,26-27,29-30,40-41H2,1-7H3/i1D3,26D2,27D2,29D2,30D2.
What are the key properties of 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine?
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 935.36 g/mol, XLogP of 16.47, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-(1,1,3,3-tetradeuterio-6,6-dimethyl-2H-cyclopenta[c]fluoren-4-yl)-4-[2-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 171404971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).