(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]

C34H26ClN — CID 27153814

IUPAC(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
SMILESClc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C34H26ClN/c35-26-21-19-23(20-22-26)31-32(24-11-3-1-4-12-24)36-33(25-13-5-2-6-14-25)34(31)29-17-9-7-15-27(29)28-16-8-10-18-30(28)34/h1-22,31-33,36H/t31-,32-,33+/m1/s1
InChIKeyRWHGNXSPUOHXDW-SLGZMBILSA-N
MW484.04 g/mol
LogP8.48
Rot. Bonds3

About (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]

(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] (PubChem CID 27153814) has the molecular formula C34H26ClN and a molecular weight of 484.04 g/mol. Its IUPAC name is (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine].

Molecular Properties

Compound Name(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
PubChem CID27153814
Molecular FormulaC34H26ClN
Molecular Weight484.04 g/mol
Exact Mass483.18
IUPAC Name(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
SMILESClc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C34H26ClN/c35-26-21-19-23(20-22-26)31-32(24-11-3-1-4-12-24)36-33(25-13-5-2-6-14-25)34(31)29-17-9-7-15-27(29)28-16-8-10-18-30(28)34/h1-22,31-33,36H/t31-,32-,33+/m1/s1
InChIKeyRWHGNXSPUOHXDW-SLGZMBILSA-N
XLogP8.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] with MolForge

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Related Compounds

[3-(4-Chloro-phenyl)-indan-1-yl]-methyl-amine
CID 13543806
N-benzyl-2-[(2,4-dichlorophenyl)methyl]indan-1-amine
CID 49776320
1-[(4-chlorophenyl)methyl]-3-(9H-fluoren-9-yl)pyrrolidine
CID 171342337
(2E,4Z)-N-[1-[2-(4-chlorophenyl)phenyl]ethenyl]-5-methyl-6-methylidene-11-[9-[1-(2,2,2-trifluoroethylamino)ethenyl]fluoren-9-yl]undeca-2,4-dien-3-amine
CID 141873738
(1'S,2R)-N-[(3-bromophenyl)methyl]-2-(4-chlorophenyl)spiro[1,2-dihydroindene-3,2'-cyclohexane]-1'-amine
CID 134957803
N-[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 80187041
N-[(4-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 80187270
N-benzyl-1-[3-(4-chlorophenyl)-1-adamantyl]ethanamine
CID 24999955
(1S,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59581917
(1S,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59581943
(1R,3R)-3-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582039
(1R,3S)-3-(4-chlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582055

Frequently Asked Questions

What is the IUPAC name of (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The IUPAC name of (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] (CID 27153814) is (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine].
What is the SMILES notation for (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The canonical SMILES for (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] is Clc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The InChIKey is RWHGNXSPUOHXDW-SLGZMBILSA-N. The full InChI is InChI=1S/C34H26ClN/c35-26-21-19-23(20-22-26)31-32(24-11-3-1-4-12-24)36-33(25-13-5-2-6-14-25)34(31)29-17-9-7-15-27(29)28-16-8-10-18-30(28)34/h1-22,31-33,36H/t31-,32-,33+/m1/s1.
What are the key properties of (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
(2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] has a molecular weight of 484.04 g/mol, XLogP of 8.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,4'S,5'S)-4'-(4-chlorophenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] is sourced from PubChem (CID 27153814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).