1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine

C42H34FNO — CID 143639902

IUPAC1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine
SMILESCc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(N5CCCC5)cc3)(c3ccccc3F)O4)cc2)cc1
InChIInChI=1S/C42H34FNO/c1-29-12-14-30(15-13-29)31-16-18-32(19-17-31)38-28-41-37(35-8-2-3-9-36(35)38)24-25-42(45-41,39-10-4-5-11-40(39)43)33-20-22-34(23-21-33)44-26-6-7-27-44/h2-5,8-25,28H,6-7,26-27H2,1H3
InChIKeyZFEMEPMEMJXLRX-UHFFFAOYSA-N
MW587.74 g/mol
LogP10.57
Rot. Bonds5

About 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine

1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine (PubChem CID 143639902) has the molecular formula C42H34FNO and a molecular weight of 587.74 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine
PubChem CID143639902
Molecular FormulaC42H34FNO
Molecular Weight587.74 g/mol
Exact Mass587.26
IUPAC Name1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine
SMILESCc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(N5CCCC5)cc3)(c3ccccc3F)O4)cc2)cc1
InChIInChI=1S/C42H34FNO/c1-29-12-14-30(15-13-29)31-16-18-32(19-17-31)38-28-41-37(35-8-2-3-9-36(35)38)24-25-42(45-41,39-10-4-5-11-40(39)43)33-20-22-34(23-21-33)44-26-6-7-27-44/h2-5,8-25,28H,6-7,26-27H2,1H3
InChIKeyZFEMEPMEMJXLRX-UHFFFAOYSA-N
XLogP10.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.74
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine 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

1-(4-Fluorophenyl)-4-[(4-methoxy-1-naphthyl)methyl]piperazine
CID 1376468
4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
CID 171356106
2-(4-Methoxynaphthalen-1-yl)-1,3-diphenylimidazolidine
CID 623673
1',3',3'-Trimethylspiro[benzo[g]chromene-2,2'-indole]
CID 2853337
4-[2-[4-(dimethylamino)phenyl]phenanthro[9,10-b][1,4]oxazin-2-yl]-N,N-dimethylaniline
CID 57641909
9,10-Bis-pentyloxy-2,7-bis[2-(4-dimethylamino-phenyl)-vinyl]anthracene
CID 72673158
4-[4-[3-fluoro-4-(3-methylbut-2-enoxy)phenyl]-3-methoxy-2,5,6-trimethylphenyl]-N-(3-methylbut-2-enyl)aniline
CID 9848319
2-(4-fluorophenyl)-6-phenylmethoxy-1-[[4-[(E)-3-piperidin-1-ylprop-1-enyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 9872168
[4-(8-Fluoro-2-methoxy-5H-6-oxa-chrysen-5-yl)-phenyl]-(2-piperidin-1-yl-ethyl)-carbamic acid tert-butyl ester
CID 11192515
2-Benzyloxy-8-fluoro-6-methyl-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,6-dihydro-benzo[i]phenanthridine
CID 11296083
4-[4-[3-(3-Fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 12081011
4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]-N,N-diphenylaniline
CID 12081016

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine?
The IUPAC name of 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine (CID 143639902) is 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine is Cc1ccc(-c2ccc(-c3cc4c(c5ccccc35)C=CC(c3ccc(N5CCCC5)cc3)(c3ccccc3F)O4)cc2)cc1.
What is the InChIKey of 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine?
The InChIKey is ZFEMEPMEMJXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34FNO/c1-29-12-14-30(15-13-29)31-16-18-32(19-17-31)38-28-41-37(35-8-2-3-9-36(35)38)24-25-42(45-41,39-10-4-5-11-40(39)43)33-20-22-34(23-21-33)44-26-6-7-27-44/h2-5,8-25,28H,6-7,26-27H2,1H3.
What are the key properties of 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine?
1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine has a molecular weight of 587.74 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluorophenyl)-6-[4-(4-methylphenyl)phenyl]benzo[f]chromen-3-yl]phenyl]pyrrolidine is sourced from PubChem (CID 143639902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).