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

C35H29N — CID 27046824

IUPAC(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
SMILESCc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C35H29N/c1-24-20-22-25(23-21-24)32-33(26-12-4-2-5-13-26)36-34(27-14-6-3-7-15-27)35(32)30-18-10-8-16-28(30)29-17-9-11-19-31(29)35/h2-23,32-34,36H,1H3/t32-,33-,34+/m1/s1
InChIKeyYCPLRWIUWVTTQW-SXLOSVNLSA-N
MW463.62 g/mol
LogP8.13
Rot. Bonds3

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

(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] (PubChem CID 27046824) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine].

Molecular Properties

Compound Name(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
PubChem CID27046824
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]
SMILESCc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C35H29N/c1-24-20-22-25(23-21-24)32-33(26-12-4-2-5-13-26)36-34(27-14-6-3-7-15-27)35(32)30-18-10-8-16-28(30)29-17-9-11-19-31(29)35/h2-23,32-34,36H,1H3/t32-,33-,34+/m1/s1
InChIKeyYCPLRWIUWVTTQW-SXLOSVNLSA-N
XLogP8.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The IUPAC name of (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] (CID 27046824) is (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine].
What is the SMILES notation for (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The canonical SMILES for (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] is Cc1ccc([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-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
The InChIKey is YCPLRWIUWVTTQW-SXLOSVNLSA-N. The full InChI is InChI=1S/C35H29N/c1-24-20-22-25(23-21-24)32-33(26-12-4-2-5-13-26)36-34(27-14-6-3-7-15-27)35(32)30-18-10-8-16-28(30)29-17-9-11-19-31(29)35/h2-23,32-34,36H,1H3/t32-,33-,34+/m1/s1.
What are the key properties of (2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine]?
(2'S,4'S,5'S)-4'-(4-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] has a molecular weight of 463.62 g/mol, XLogP of 8.13, 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-methylphenyl)-2',5'-diphenylspiro[fluorene-9,3'-pyrrolidine] is sourced from PubChem (CID 27046824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).