1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione

C33H26N2O2 — CID 139071231

IUPAC—
SMILESCN1C[C@H](c2ccccc2)[C@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C33H26N2O2/c1-35-19-26(20-9-3-2-4-10-20)32(18-17-23-22-13-5-6-16-27(22)34-29(23)31(32)37)33(35)25-15-8-12-21-11-7-14-24(28(21)25)30(33)36/h2-16,26,34H,17-19H2,1H3/t26-,32+,33+/m1/s1
InChIKeyBREKGIWOIKWINL-DJDPXSJISA-N
MW482.58 g/mol
LogP6.26
Rot. Bonds1

About 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione

1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione (PubChem CID 139071231) has the molecular formula C33H26N2O2 and a molecular weight of 482.58 g/mol.

Molecular Properties

Compound Name1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione
PubChem CID139071231
Molecular FormulaC33H26N2O2
Molecular Weight482.58 g/mol
Exact Mass482.20
IUPAC Name—
SMILESCN1C[C@H](c2ccccc2)[C@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C33H26N2O2/c1-35-19-26(20-9-3-2-4-10-20)32(18-17-23-22-13-5-6-16-27(22)34-29(23)31(32)37)33(35)25-15-8-12-21-11-7-14-24(28(21)25)30(33)36/h2-16,26,34H,17-19H2,1H3/t26-,32+,33+/m1/s1
InChIKeyBREKGIWOIKWINL-DJDPXSJISA-N
XLogP6.26
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

CID 42599446
CID 42599446
CID 11812335
CID 11812335
(1R,4'R)-1'-methyl-2-oxo-4'-phenylspiro[acenaphthylene-1,2'-pyrrolidine]-3',3'-dicarbonitrile
CID 102494084
CID 71561309
CID 71561309
CID 102149857
CID 102149857
CID 139216473
CID 139216473
2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
CID 91754487
CID 73346681
CID 73346681
CID 101429521
CID 101429521
CID 102309828
CID 102309828
CID 62705981
CID 62705981
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884

Frequently Asked Questions

What is the IUPAC name of 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione?
The IUPAC name of 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione (CID 139071231) is not available.
What is the SMILES notation for 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione?
The canonical SMILES for 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione is CN1C[C@H](c2ccccc2)[C@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13.
What is the InChIKey of 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione?
The InChIKey is BREKGIWOIKWINL-DJDPXSJISA-N. The full InChI is InChI=1S/C33H26N2O2/c1-35-19-26(20-9-3-2-4-10-20)32(18-17-23-22-13-5-6-16-27(22)34-29(23)31(32)37)33(35)25-15-8-12-21-11-7-14-24(28(21)25)30(33)36/h2-16,26,34H,17-19H2,1H3/t26-,32+,33+/m1/s1.
What are the key properties of 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione?
1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione has a molecular weight of 482.58 g/mol, XLogP of 6.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-Methylacenapthylene-1(2H)-spiro-2'-pyrrolidine-3'-spiro-2''(3''H)-carbazole-2,1''(4''H)-dione is sourced from PubChem (CID 139071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).