[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone

C45H45F3GeN2O4 — CID 167692923

IUPAC[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone
SMILESCC[Ge](CC)(C(=O)c1ccc2c(c1)C=CC1(Nc3ccc(C)cc3C1(C)C)O2)C(=O)c1ccc2c(c1)C=CC1(O2)N(C)c2ccc(C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C45H45F3GeN2O4/c1-9-49(10-2,39(52)30-12-17-37-28(24-30)19-21-43(54-37)41(4,5)33-23-27(3)11-15-35(33)50-43)40(53)31-13-18-38-29(25-31)20-22-44(55-38)42(6,7)34-26-32(45(46,47)48)14-16-36(34)51(44)8/h11-26,50H,9-10H2,1-8H3
InChIKeyUCLQHXKSLGXHQE-UHFFFAOYSA-N
MW807.47 g/mol
LogP10.68
Rot. Bonds6

About [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone

[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone (PubChem CID 167692923) has the molecular formula C45H45F3GeN2O4 and a molecular weight of 807.47 g/mol. Its IUPAC name is [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone.

Molecular Properties

Compound Name[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone
PubChem CID167692923
Molecular FormulaC45H45F3GeN2O4
Molecular Weight807.47 g/mol
Exact Mass808.25
IUPAC Name[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone
SMILESCC[Ge](CC)(C(=O)c1ccc2c(c1)C=CC1(Nc3ccc(C)cc3C1(C)C)O2)C(=O)c1ccc2c(c1)C=CC1(O2)N(C)c2ccc(C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C45H45F3GeN2O4/c1-9-49(10-2,39(52)30-12-17-37-28(24-30)19-21-43(54-37)41(4,5)33-23-27(3)11-15-35(33)50-43)40(53)31-13-18-38-29(25-31)20-22-44(55-38)42(6,7)34-26-32(45(46,47)48)14-16-36(34)51(44)8/h11-26,50H,9-10H2,1-8H3
InChIKeyUCLQHXKSLGXHQE-UHFFFAOYSA-N
XLogP10.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.47
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone?
The IUPAC name of [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone (CID 167692923) is [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone.
What is the SMILES notation for [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone?
The canonical SMILES for [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone is CC[Ge](CC)(C(=O)c1ccc2c(c1)C=CC1(Nc3ccc(C)cc3C1(C)C)O2)C(=O)c1ccc2c(c1)C=CC1(O2)N(C)c2ccc(C(F)(F)F)cc2C1(C)C.
What is the InChIKey of [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone?
The InChIKey is UCLQHXKSLGXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45F3GeN2O4/c1-9-49(10-2,39(52)30-12-17-37-28(24-30)19-21-43(54-37)41(4,5)33-23-27(3)11-15-35(33)50-43)40(53)31-13-18-38-29(25-31)20-22-44(55-38)42(6,7)34-26-32(45(46,47)48)14-16-36(34)51(44)8/h11-26,50H,9-10H2,1-8H3.
What are the key properties of [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone?
[diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone has a molecular weight of 807.47 g/mol, XLogP of 10.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diethyl-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-carbonyl]germyl]-(3,3,5-trimethylspiro[1H-indole-2,2'-chromene]-6'-yl)methanone is sourced from PubChem (CID 167692923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).